2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid

C11H11FO2 — CID 82112065

IUPAC2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CC1c1ccccc1F
InChIInChI=1S/C11H11FO2/c1-11(10(13)14)6-8(11)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H,13,14)
InChIKeyMXHCIXYKAZKVIS-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid

2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid (PubChem CID 82112065) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
PubChem CID82112065
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CC1c1ccccc1F
InChIInChI=1S/C11H11FO2/c1-11(10(13)14)6-8(11)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H,13,14)
InChIKeyMXHCIXYKAZKVIS-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxylic acid
CID 58930780
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
(2R,3S)-2-(2-fluorophenyl)-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
CID 90026251
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
trans-(1S,2R)-1-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 165456562
methyl (2S,3R)-2-(2-fluorophenyl)-1,4-dioxaspiro[4.4]non-7-ene-3-carboxylate
CID 149077637
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
CID 53441832
tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate
CID 178194349
methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 123610795

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid (CID 82112065) is 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid is CC1(C(=O)O)CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is MXHCIXYKAZKVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-11(10(13)14)6-8(11)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid?
2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 194.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82112065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).