3-(3-fluorophenyl)cyclobutane-1-carboxylic acid

C11H11FO2 — CID 47002918

IUPAC3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(F)c2)C1
InChIInChI=1S/C11H11FO2/c12-10-3-1-2-7(6-10)8-4-9(5-8)11(13)14/h1-3,6,8-9H,4-5H2,(H,13,14)
InChIKeyKZKUSODPOMRZBK-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.40
Rot. Bonds2

About 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid

3-(3-fluorophenyl)cyclobutane-1-carboxylic acid (PubChem CID 47002918) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
PubChem CID47002918
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(c2cccc(F)c2)C1
InChIInChI=1S/C11H11FO2/c12-10-3-1-2-7(6-10)8-4-9(5-8)11(13)14/h1-3,6,8-9H,4-5H2,(H,13,14)
InChIKeyKZKUSODPOMRZBK-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

(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 173047292
3-(3-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
CID 168874395
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid
CID 165438358
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 152624369
(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid
CID 95212331
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
CID 122057127
N-[3-(3-fluorophenyl)cyclobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138044557

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid (CID 47002918) is 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is KZKUSODPOMRZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-3-1-2-7(6-10)8-4-9(5-8)11(13)14/h1-3,6,8-9H,4-5H2,(H,13,14).
What are the key properties of 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid?
3-(3-fluorophenyl)cyclobutane-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 3-(3-fluorophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 47002918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).