1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide

C7H12FNO2 — CID 130246938

IUPAC1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1(F)CCC1
InChIInChI=1S/C7H12FNO2/c1-9(11-2)6(10)7(8)4-3-5-7/h3-5H2,1-2H3
InChIKeyHANZJYHULPUBAQ-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.90
Rot. Bonds2

About 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide

1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide (PubChem CID 130246938) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
PubChem CID130246938
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1(F)CCC1
InChIInChI=1S/C7H12FNO2/c1-9(11-2)6(10)7(8)4-3-5-7/h3-5H2,1-2H3
InChIKeyHANZJYHULPUBAQ-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
3,3-Difluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
CID 87068234
N-methoxy-N-methylpentanamide
CID 3801384
N-methoxy-N-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 58114150
5,5,5-trifluoro-N-methoxy-N-methylpentanamide
CID 87257309
3,3-difluoro-N-methoxy-N,1-dimethylcyclobutane-1-carboxamide
CID 134367999
2-(3,3-difluorocyclobutyl)-N-methoxy-N-methylacetamide
CID 140191462
2-fluoro-N-methoxy-N-methylpentanamide
CID 141176012
3-Fluoro-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 152116408
N-Methoxy-N-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 156495434
1-fluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
CID 156530580
2-fluoro-N-methoxy-N,2-dimethylbutanamide
CID 166785115

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide (CID 130246938) is 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide is CON(C)C(=O)C1(F)CCC1.
What is the InChIKey of 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide?
The InChIKey is HANZJYHULPUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-9(11-2)6(10)7(8)4-3-5-7/h3-5H2,1-2H3.
What are the key properties of 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide?
1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide has a molecular weight of 161.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 130246938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).