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CAS 148043-73-6 manufacturers and suppliers on PharmaCompass

PharmaCompass
4,4,5,5,5-Pentafluoro-1-pentanol
Also known as: Yzeyxuodtobxbk-uhfffaoysa-n
Molecular Formula
C15H17NO4
Molecular Weight
275.30  g/mol
InChI Key
YZEYXUODTOBXBK-UHFFFAOYSA-N

1 2D Structure

4,4,5,5,5-Pentafluoro-1-pentanol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-one
2.1.2 InChI
InChI=1S/C15H17NO4/c17-13(10-16-5-7-18-8-6-16)3-1-12-2-4-14-15(9-12)20-11-19-14/h1-4,9H,5-8,10-11H2
2.1.3 InChI Key
YZEYXUODTOBXBK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCN1CC(=O)C=CC2=CC3=C(C=C2)OCO3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Yzeyxuodtobxbk-uhfffaoysa-n

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 275.30 g/mol
Molecular Formula C15H17NO4
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area48
Heavy Atom Count20
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1
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