2-(3,3-difluoroazetidin-1-yl)propanoic acid

C6H9F2NO2 — CID 121215370

IUPAC2-(3,3-difluoroazetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2/c1-4(5(10)11)9-2-6(7,8)3-9/h4H,2-3H2,1H3,(H,10,11)
InChIKeySFURHOKKQSPDFA-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.41
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)propanoic acid

2-(3,3-difluoroazetidin-1-yl)propanoic acid (PubChem CID 121215370) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)propanoic acid
PubChem CID121215370
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2-(3,3-difluoroazetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2/c1-4(5(10)11)9-2-6(7,8)3-9/h4H,2-3H2,1H3,(H,10,11)
InChIKeySFURHOKKQSPDFA-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Azetidin-1-yl)propanoic acid hydrochloride
CID 67892510
2-(3,3-Difluoroazetidin-1-yl)acetic acid hydrochloride
CID 132372203
2-(Azetidin-1-yl)propanoic acid
CID 54349985
2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-(3,3-Difluoroazetidin-1-yl)acetic acid
CID 89399883
1-(Trifluoromethyl)azetidine-2-carboxylic acid
CID 122442203
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882
2-[3-(Trifluoromethyl)azetidin-1-yl]acetic acid
CID 137480122
3-Fluoro-1-propan-2-ylazetidine-2-carboxylic acid
CID 139341636
Fluoro 2,2-difluoro-2-(3-hydroxy-3-methylazetidin-1-yl)acetate
CID 146316922
(2S)-2-(diethylamino)-2,3,3,3-tetrafluoropropanoic acid
CID 151038252
(2R)-2-(diethylamino)-3-fluoropropanoic acid
CID 151435705

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)propanoic acid?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)propanoic acid (CID 121215370) is 2-(3,3-difluoroazetidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)propanoic acid is CC(C(=O)O)N1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)propanoic acid?
The InChIKey is SFURHOKKQSPDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-4(5(10)11)9-2-6(7,8)3-9/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)propanoic acid?
2-(3,3-difluoroazetidin-1-yl)propanoic acid has a molecular weight of 165.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)propanoic acid is sourced from PubChem (CID 121215370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).