3-(difluoromethyl)azetidine-1-carboxamide

C5H8F2N2O — CID 155279450

IUPAC3-(difluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(C(F)F)C1
InChIInChI=1S/C5H8F2N2O/c6-4(7)3-1-9(2-3)5(8)10/h3-4H,1-2H2,(H2,8,10)
InChIKeyWDJGAGIKWSILNR-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.26
Rot. Bonds1

About 3-(difluoromethyl)azetidine-1-carboxamide

3-(difluoromethyl)azetidine-1-carboxamide (PubChem CID 155279450) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 3-(difluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)azetidine-1-carboxamide
PubChem CID155279450
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name3-(difluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(C(F)F)C1
InChIInChI=1S/C5H8F2N2O/c6-4(7)3-1-9(2-3)5(8)10/h3-4H,1-2H2,(H2,8,10)
InChIKeyWDJGAGIKWSILNR-UHFFFAOYSA-N
XLogP0.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(difluoromethyl)azetidine-1-carboxamide (CID 155279450) is 3-(difluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(difluoromethyl)azetidine-1-carboxamide is NC(=O)N1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)azetidine-1-carboxamide?
The InChIKey is WDJGAGIKWSILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c6-4(7)3-1-9(2-3)5(8)10/h3-4H,1-2H2,(H2,8,10).
What are the key properties of 3-(difluoromethyl)azetidine-1-carboxamide?
3-(difluoromethyl)azetidine-1-carboxamide has a molecular weight of 150.13 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 155279450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).