1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,2S)-2-(3-fluorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol

2.1.2 InChI

InChI=1S/C11H13FO2/c12-10-3-1-2-8(4-10)11(7-14)5-9(11)6-13/h1-4,9,13-14H,5-7H2/t9-,11+/m0/s1

2.1.3 InChI Key

LYRQPKNAZSUDKZ-GXSJLCMTSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1369767-20-3

2. 857-048-8

3. ((1s,2r)-1-(3-fluorophenyl)cyclopropane-1,2-diyl)dimethanol

4. Starbld0000171

5. Schembl2117172

6. Lyrqpknazsudkz-gxsjlcmtsa-n

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃FO₂
Molecular Weight	196.22 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	40.5
Heavy Atom Count	14
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1369767-20-3