3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid

C7H10F3NO2 — CID 46864101

IUPAC3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(N1CCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(4-6(12)13)11-2-1-3-11/h5H,1-4H2,(H,12,13)
InChIKeyVZRZFLQFVKKTNW-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.10
Rot. Bonds3

About 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid

3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 46864101) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid
PubChem CID46864101
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESO=C(O)CC(N1CCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(4-6(12)13)11-2-1-3-11/h5H,1-4H2,(H,12,13)
InChIKeyVZRZFLQFVKKTNW-UHFFFAOYSA-N
XLogP1.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
1-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 64258950
1-(3,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 64566941
1-(1,1,1-Trifluoropropan-2-yl)azetidine-3-carboxylic acid
CID 67322346
1-(2,2-Difluoroethyl)-3-methylazetidine-3-carboxylic acid
CID 130988427
4-(3,3-Difluoroazetidin-1-yl)butanoic acid
CID 132236526
3-Fluoro-1-propan-2-ylazetidine-3-carboxylic acid
CID 139341801
1-(1,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 175559340
1-(2,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 175567673
3-(Dimethylamino)-4,4,4-trifluorobutanoic acid
CID 46864100
3-[Butan-2-yl(butyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146327
4,4,4-Trifluoro-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 55146719

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid (CID 46864101) is 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid is O=C(O)CC(N1CCC1)C(F)(F)F.
What is the InChIKey of 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is VZRZFLQFVKKTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5(4-6(12)13)11-2-1-3-11/h5H,1-4H2,(H,12,13).
What are the key properties of 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid?
3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid has a molecular weight of 197.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 46864101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).