cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid

C11H11FO2 — CID 94361039

IUPACcis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(F)ccc1[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C11H11FO2/c1-6-4-7(12)2-3-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyRRCCHEZUYWTWOV-NXEZZACHSA-N
MW194.20 g/mol
LogP2.32
Rot. Bonds2

About cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 94361039) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID94361039
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namecis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(F)ccc1[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C11H11FO2/c1-6-4-7(12)2-3-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyRRCCHEZUYWTWOV-NXEZZACHSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylic acid
CID 135353805
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 83969122
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 68636272
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
2-(4-fluoro-2-methylphenyl)cyclopentan-1-ol
CID 62790245

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid (CID 94361039) is cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(F)ccc1[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is RRCCHEZUYWTWOV-NXEZZACHSA-N. The full InChI is InChI=1S/C11H11FO2/c1-6-4-7(12)2-3-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 194.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 94361039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).