cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

C11H9F3O3 — CID 51888095

IUPACcis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H9F3O3/c12-11(13,14)17-7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9-/m1/s1
InChIKeyIYYOCNQIQCLRHF-RKDXNWHRSA-N
MW246.18 g/mol
LogP2.77
Rot. Bonds3

About cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 51888095) has the molecular formula C11H9F3O3 and a molecular weight of 246.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID51888095
Molecular FormulaC11H9F3O3
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Namecis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H9F3O3/c12-11(13,14)17-7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9-/m1/s1
InChIKeyIYYOCNQIQCLRHF-RKDXNWHRSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one
CID 100663278
N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111460702
N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 86813882
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 99774578
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 91657528
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide
CID 18006320

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid (CID 51888095) is cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is IYYOCNQIQCLRHF-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H9F3O3/c12-11(13,14)17-7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 246.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51888095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).