N-butyl-N-methylcarbamoyl fluoride

C6H12FNO — CID 130266465

IUPACN-butyl-N-methylcarbamoyl fluoride
SMILESCCCCN(C)C(=O)F
InChIInChI=1S/C6H12FNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKeyYFPUMHSVQRKAOC-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.81
Rot. Bonds3

About N-butyl-N-methylcarbamoyl fluoride

N-butyl-N-methylcarbamoyl fluoride (PubChem CID 130266465) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-butyl-N-methylcarbamoyl fluoride.

Molecular Properties

Compound NameN-butyl-N-methylcarbamoyl fluoride
PubChem CID130266465
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-butyl-N-methylcarbamoyl fluoride
SMILESCCCCN(C)C(=O)F
InChIInChI=1S/C6H12FNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKeyYFPUMHSVQRKAOC-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-N-methylcarbamoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methylbutylformamide
CID 14230
Diethylcarbamoyl fluoride
CID 12750942
N-(3-fluoropropyl)-N-methylcarbamoyl chloride
CID 165979594
N-methyl-N-propylcarbamoyl fluoride
CID 18737102
CID 59886665
CID 59886665
N-butyl-N-(trifluoromethyl)formamide
CID 87440981
N-methyl-N-(3-methylbutyl)carbamoyl fluoride
CID 89022465
N-(2,2-difluorobutyl)-N-methylformamide
CID 89308150
N-(3-fluoropropyl)-N-methylformamide
CID 123161339
N-(3-fluorobutyl)-N-methylacetamide
CID 143474180
N-(4-fluorobutyl)-N-methylformamide
CID 153370981
N-ethyl-N-methylcarbamoyl fluoride
CID 174277337

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylcarbamoyl fluoride?
The IUPAC name of N-butyl-N-methylcarbamoyl fluoride (CID 130266465) is N-butyl-N-methylcarbamoyl fluoride.
What is the SMILES notation for N-butyl-N-methylcarbamoyl fluoride?
The canonical SMILES for N-butyl-N-methylcarbamoyl fluoride is CCCCN(C)C(=O)F.
What is the InChIKey of N-butyl-N-methylcarbamoyl fluoride?
The InChIKey is YFPUMHSVQRKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylcarbamoyl fluoride?
N-butyl-N-methylcarbamoyl fluoride has a molecular weight of 133.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylcarbamoyl fluoride is sourced from PubChem (CID 130266465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).