2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid

C7H12FNO2 — CID 80695766

IUPAC2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCF)C1
InChIInChI=1S/C7H12FNO2/c8-1-2-9-4-6(5-9)3-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyKVKLEYUGDQUDJN-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.36
Rot. Bonds4

About 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid

2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid (PubChem CID 80695766) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid
PubChem CID80695766
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCF)C1
InChIInChI=1S/C7H12FNO2/c8-1-2-9-4-6(5-9)3-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyKVKLEYUGDQUDJN-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Methylazetidin-3-yl)acetic acid hydrochloride
CID 121553029
3-((Dimethylamino)methyl)-4,4-difluorobutanoic acid hydrochloride
CID 155819878
2-(1-Ethylazetidin-3-yl)acetic acid hydrochloride
CID 170915600
CID 18954187
CID 18954187
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
4-(3,3-Difluoroazetidin-1-yl)butanoic acid
CID 132236526
2-(3-Fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
CID 134533991
4-(Dimethylamino)-2-(fluoromethyl)butanoic acid
CID 145260125
2-Oxo-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetic acid
CID 151892955
2-(1-Methylazetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 155163074
2-(1-Tert-butyl-3-fluoroazetidin-3-yl)acetic acid
CID 162475432
2-[1-(3,3,3-Trifluoropropanoyl)azetidin-3-yl]acetic acid
CID 64603575

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid (CID 80695766) is 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CCF)C1.
What is the InChIKey of 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid?
The InChIKey is KVKLEYUGDQUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-1-2-9-4-6(5-9)3-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid?
2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 80695766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).