3,3-difluoro-N-methylazetidine-1-carboxamide

C5H8F2N2O — CID 118395187

IUPAC3,3-difluoro-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c1-8-4(10)9-2-5(6,7)3-9/h2-3H2,1H3,(H,8,10)
InChIKeyVIZABHPYCSKCRT-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.28
Rot. Bonds

About 3,3-difluoro-N-methylazetidine-1-carboxamide

3,3-difluoro-N-methylazetidine-1-carboxamide (PubChem CID 118395187) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 3,3-difluoro-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methylazetidine-1-carboxamide
PubChem CID118395187
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name3,3-difluoro-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c1-8-4(10)9-2-5(6,7)3-9/h2-3H2,1H3,(H,8,10)
InChIKeyVIZABHPYCSKCRT-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylazetidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-methylazetidine-1-carboxamide (CID 118395187) is 3,3-difluoro-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methylazetidine-1-carboxamide?
The InChIKey is VIZABHPYCSKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c1-8-4(10)9-2-5(6,7)3-9/h2-3H2,1H3,(H,8,10).
What are the key properties of 3,3-difluoro-N-methylazetidine-1-carboxamide?
3,3-difluoro-N-methylazetidine-1-carboxamide has a molecular weight of 150.13 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 118395187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).