3-fluoro-3-methylazetidine-1-carboxamide

C5H9FN2O — CID 131180846

IUPAC3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(N)=O)C1
InChIInChI=1S/C5H9FN2O/c1-5(6)2-8(3-5)4(7)9/h2-3H2,1H3,(H2,7,9)
InChIKeyIFGPXYKDXHOVAT-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.11
Rot. Bonds

About 3-fluoro-3-methylazetidine-1-carboxamide

3-fluoro-3-methylazetidine-1-carboxamide (PubChem CID 131180846) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 3-fluoro-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methylazetidine-1-carboxamide
PubChem CID131180846
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(N)=O)C1
InChIInChI=1S/C5H9FN2O/c1-5(6)2-8(3-5)4(7)9/h2-3H2,1H3,(H2,7,9)
InChIKeyIFGPXYKDXHOVAT-UHFFFAOYSA-N
XLogP0.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethyl-3-methylazetidine-1-carboxamide
CID 128466913
Azetidine-1-carboxamide
CID 17992338
2-Fluoroazetidine-1-carboxamide
CID 118168930
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
3,3-Difluoroazetidine-1-carboxamide
CID 123290716
3-Fluoroazetidine-1-carboxamide
CID 126992888
3-(2,2,2-Trifluoroethyl)azetidine-1-carboxamide
CID 130723321
3-fluoro-N-methylazetidine-1-carboxamide
CID 131086353
2,2-Difluoroazetidine-1-carboxamide
CID 137352276
2,3-Difluoroazetidine-1-carboxamide
CID 137352277
2-fluoro-N-methylazetidine-1-carboxamide
CID 141334052
3,3-Difluoroazetidine-1-carboxamide;molecular hydrogen;propane
CID 144507525

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylazetidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-methylazetidine-1-carboxamide (CID 131180846) is 3-fluoro-3-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methylazetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methylazetidine-1-carboxamide is CC1(F)CN(C(N)=O)C1.
What is the InChIKey of 3-fluoro-3-methylazetidine-1-carboxamide?
The InChIKey is IFGPXYKDXHOVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-5(6)2-8(3-5)4(7)9/h2-3H2,1H3,(H2,7,9).
What are the key properties of 3-fluoro-3-methylazetidine-1-carboxamide?
3-fluoro-3-methylazetidine-1-carboxamide has a molecular weight of 132.14 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 131180846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).