Difluorocyclohexyloxyphenol

Synopsis, Chemistry

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Also known as: Schembl19822405

Molecular Formula

C₁₂H₁₄F₂O₂

Molecular Weight

228.23 g/mol

InChI Key

JHINHHFRYYKQPM-UHFFFAOYSA-N

1 2D Structure

Difluorocyclohexyloxyphenol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2,2-difluorocyclohexyl)oxyphenol

2.1.2 InChI

InChI=1S/C12H14F2O2/c13-12(14)8-2-1-3-11(12)16-10-6-4-9(15)5-7-10/h4-7,11,15H,1-3,8H2

2.1.3 InChI Key

JHINHHFRYYKQPM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(C(C1)OC2=CC=C(C=C2)O)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl19822405

2.3 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄F₂O₂
Molecular Weight	228.23 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	228.09618601 g/mol
Monoisotopic Mass	228.09618601 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1