2-(trifluoromethyl)azetidine-1-carboxamide

C5H7F3N2O — CID 153475223

IUPAC2-(trifluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CCC1C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)3-1-2-10(3)4(9)11/h3H,1-2H2,(H2,9,11)
InChIKeyJCHNCAVKFOBINC-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.70
Rot. Bonds

About 2-(trifluoromethyl)azetidine-1-carboxamide

2-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 153475223) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID153475223
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name2-(trifluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CCC1C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)3-1-2-10(3)4(9)11/h3H,1-2H2,(H2,9,11)
InChIKeyJCHNCAVKFOBINC-UHFFFAOYSA-N
XLogP0.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 2-(trifluoromethyl)azetidine-1-carboxamide (CID 153475223) is 2-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)azetidine-1-carboxamide is NC(=O)N1CCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is JCHNCAVKFOBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)3-1-2-10(3)4(9)11/h3H,1-2H2,(H2,9,11).
What are the key properties of 2-(trifluoromethyl)azetidine-1-carboxamide?
2-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 168.12 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 153475223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).