(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol

C12H13F3O2 — CID 124747303

IUPAC(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
SMILESC[C@H](O)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)17-12(13,14)15/h2-5,7,10-11,16H,6H2,1H3/t7-,10+,11-/m0/s1
InChIKeyRETAYEARUXQURQ-XROYCOCOSA-N
MW246.23 g/mol
LogP3.07
Rot. Bonds3

About (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol

(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol (PubChem CID 124747303) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
PubChem CID124747303
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
SMILESC[C@H](O)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)17-12(13,14)15/h2-5,7,10-11,16H,6H2,1H3/t7-,10+,11-/m0/s1
InChIKeyRETAYEARUXQURQ-XROYCOCOSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
CID 28912369
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111460702
cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 91657528
N-methyl-1-[(1S,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]methanamine
CID 94558259
(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588
propan-2-ol;trifluoromethoxybenzene
CID 161029707

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol (CID 124747303) is (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol is C[C@H](O)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol?
The InChIKey is RETAYEARUXQURQ-XROYCOCOSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-7(16)10-6-11(10)8-2-4-9(5-3-8)17-12(13,14)15/h2-5,7,10-11,16H,6H2,1H3/t7-,10+,11-/m0/s1.
What are the key properties of (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol?
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol has a molecular weight of 246.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol is sourced from PubChem (CID 124747303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).