2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C11H11F3N2O — CID 140707316

IUPAC2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESNC(=O)N1CCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16(9)10(15)17/h1-4,9H,5-6H2,(H2,15,17)
InChIKeyJHDMHNGMFDSUNS-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.53
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 140707316) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID140707316
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESNC(=O)N1CCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16(9)10(15)17/h1-4,9H,5-6H2,(H2,15,17)
InChIKeyJHDMHNGMFDSUNS-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 140707316) is 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is NC(=O)N1CCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is JHDMHNGMFDSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16(9)10(15)17/h1-4,9H,5-6H2,(H2,15,17).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 140707316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).