(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol

C12H13F3O — CID 28912537

IUPAC(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-7(16)9-6-10(9)8-4-2-3-5-11(8)12(13,14)15/h2-5,7,9-10,16H,6H2,1H3/t7-,9-,10+/m0/s1
InChIKeyYVWGMKMLYWNCIT-UJNFCWOMSA-N
MW230.23 g/mol
LogP3.19
Rot. Bonds2

About (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol

(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol (PubChem CID 28912537) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
PubChem CID28912537
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-7(16)9-6-10(9)8-4-2-3-5-11(8)12(13,14)15/h2-5,7,9-10,16H,6H2,1H3/t7-,9-,10+/m0/s1
InChIKeyYVWGMKMLYWNCIT-UJNFCWOMSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]ethanol
CID 43828893
(1S)-1-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]ethanol
CID 28912160
(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95288333
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
(1S)-1-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 124746610
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124731048

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol (CID 28912537) is (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol is C[C@H](O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol?
The InChIKey is YVWGMKMLYWNCIT-UJNFCWOMSA-N. The full InChI is InChI=1S/C12H13F3O/c1-7(16)9-6-10(9)8-4-2-3-5-11(8)12(13,14)15/h2-5,7,9-10,16H,6H2,1H3/t7-,9-,10+/m0/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol?
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol has a molecular weight of 230.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol is sourced from PubChem (CID 28912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).