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

C8H10F3NO3 — CID 64603575

IUPAC2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)2-6(13)12-3-5(4-12)1-7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyVGCDWCPNMKHJIQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds3

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

2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid (PubChem CID 64603575) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid
PubChem CID64603575
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)2-6(13)12-3-5(4-12)1-7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyVGCDWCPNMKHJIQ-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,3,3-trifluoropropanoyl)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-[(Tert-butoxy)carbonyl]azetidin-3-yl}-2,2-difluoroacetic acid
CID 105509227
2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
2-(1-Methylazetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 155163074
4-[Methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 43151856
4-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875573
1-(3,3,3-Trifluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 63006751
2-[1-[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid
CID 64604156
2-[1-[3-(2,2,2-Trifluoroethoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64604988
2-[1-(Trifluoroacetyl)azetidin-3-yl]acetic acid
CID 64605384
2-[1-(2,2,2-Trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid
CID 64616199
2-[1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617031
2-[1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid (CID 64603575) is 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid?
The InChIKey is VGCDWCPNMKHJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)2-6(13)12-3-5(4-12)1-7(14)15/h5H,1-4H2,(H,14,15).
What are the key properties of 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid?
2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).