2-(3-fluorophenyl)azetidine-3-carboxylic acid

C10H10FNO2 — CID 105448727

IUPAC2-(3-fluorophenyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CNC1c1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-2-6(4-7)9-8(5-12-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKeyWBODQWTTXFLPJS-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.17
Rot. Bonds2

About 2-(3-fluorophenyl)azetidine-3-carboxylic acid

2-(3-fluorophenyl)azetidine-3-carboxylic acid (PubChem CID 105448727) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(3-fluorophenyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)azetidine-3-carboxylic acid
PubChem CID105448727
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(3-fluorophenyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CNC1c1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-2-6(4-7)9-8(5-12-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKeyWBODQWTTXFLPJS-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
2-(3-methoxyphenyl)azetidine-3-carboxylic acid
CID 105460068
(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 173047292
3-(3-fluorophenyl)-2,6-dimethyl-1,4-thiazepane 1,1-dioxide
CID 114873006
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
(3R,4R)-4-(3-fluorophenyl)oxane-3-carboxylic acid
CID 178190203
ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
CID 83855538

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)azetidine-3-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)azetidine-3-carboxylic acid (CID 105448727) is 2-(3-fluorophenyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)azetidine-3-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)azetidine-3-carboxylic acid is O=C(O)C1CNC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)azetidine-3-carboxylic acid?
The InChIKey is WBODQWTTXFLPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-3-1-2-6(4-7)9-8(5-12-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14).
What are the key properties of 2-(3-fluorophenyl)azetidine-3-carboxylic acid?
2-(3-fluorophenyl)azetidine-3-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 105448727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).