2-fluoro-N-methylazetidine-1-carboxamide

C5H9FN2O — CID 141334052

IUPAC2-fluoro-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CCC1F
InChIInChI=1S/C5H9FN2O/c1-7-5(9)8-3-2-4(8)6/h4H,2-3H2,1H3,(H,7,9)
InChIKeyZHUPESQKLSSOBD-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.33
Rot. Bonds

About 2-fluoro-N-methylazetidine-1-carboxamide

2-fluoro-N-methylazetidine-1-carboxamide (PubChem CID 141334052) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 2-fluoro-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methylazetidine-1-carboxamide
PubChem CID141334052
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name2-fluoro-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CCC1F
InChIInChI=1S/C5H9FN2O/c1-7-5(9)8-3-2-4(8)6/h4H,2-3H2,1H3,(H,7,9)
InChIKeyZHUPESQKLSSOBD-UHFFFAOYSA-N
XLogP0.33
TPSA32.34 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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
2-Fluoroazetidine-1-carboxamide
CID 118168930
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
3,3-difluoro-N-isopropylazetidine-1-carboxamide
CID 122269482
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483
3,3-difluoro-N-propylazetidine-1-carboxamide
CID 122269486
3-Fluoroazetidine-1-carboxamide
CID 126992888
N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 130157470
3-fluoro-N-methylazetidine-1-carboxamide
CID 131086353
3-Fluoro-3-methyl-1-azetidinecarboxamide
CID 131180846
3,3-Difluoroazetidine-1-carboxamide;molecular hydrogen;propane
CID 144507525

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methylazetidine-1-carboxamide?
The IUPAC name of 2-fluoro-N-methylazetidine-1-carboxamide (CID 141334052) is 2-fluoro-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-methylazetidine-1-carboxamide?
The canonical SMILES for 2-fluoro-N-methylazetidine-1-carboxamide is CNC(=O)N1CCC1F.
What is the InChIKey of 2-fluoro-N-methylazetidine-1-carboxamide?
The InChIKey is ZHUPESQKLSSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-7-5(9)8-3-2-4(8)6/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of 2-fluoro-N-methylazetidine-1-carboxamide?
2-fluoro-N-methylazetidine-1-carboxamide has a molecular weight of 132.14 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 141334052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).