trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H11FO3 — CID 138987329

IUPACtrans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc([C@@H]2C[C@H]2C(=O)O)ccc1F
InChIInChI=1S/C11H11FO3/c1-15-10-4-6(2-3-9(10)12)7-5-8(7)11(13)14/h2-4,7-8H,5H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyWFAIIFVWMUYPFP-JGVFFNPUSA-N
MW210.20 g/mol
LogP2.02
Rot. Bonds3

About trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 138987329) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID138987329
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Nametrans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc([C@@H]2C[C@H]2C(=O)O)ccc1F
InChIInChI=1S/C11H11FO3/c1-15-10-4-6(2-3-9(10)12)7-5-8(7)11(13)14/h2-4,7-8H,5H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyWFAIIFVWMUYPFP-JGVFFNPUSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide
CID 166292716
2-(4-tert-butyl-3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 67046563
trans-(1R,2R)-2-[4-[(3,4-difluoro-5-methoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid
CID 166274122
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 138987329) is trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1cc([C@@H]2C[C@H]2C(=O)O)ccc1F.
What is the InChIKey of trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WFAIIFVWMUYPFP-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H11FO3/c1-15-10-4-6(2-3-9(10)12)7-5-8(7)11(13)14/h2-4,7-8H,5H2,1H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 210.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 138987329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).