N-(fluoromethyl)-N-methylcarbamoyl chloride

C3H5ClFNO — CID 88816847

IUPACN-(fluoromethyl)-N-methylcarbamoyl chloride
SMILESCN(CF)C(=O)Cl
InChIInChI=1S/C3H5ClFNO/c1-6(2-5)3(4)7/h2H2,1H3
InChIKeyGOVGHVDJXBFYND-UHFFFAOYSA-N
MW125.53 g/mol
LogP1.20
Rot. Bonds1

About N-(fluoromethyl)-N-methylcarbamoyl chloride

N-(fluoromethyl)-N-methylcarbamoyl chloride (PubChem CID 88816847) has the molecular formula C3H5ClFNO and a molecular weight of 125.53 g/mol. Its IUPAC name is N-(fluoromethyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(fluoromethyl)-N-methylcarbamoyl chloride
PubChem CID88816847
Molecular FormulaC3H5ClFNO
Molecular Weight125.53 g/mol
Exact Mass125.00
IUPAC NameN-(fluoromethyl)-N-methylcarbamoyl chloride
SMILESCN(CF)C(=O)Cl
InChIInChI=1S/C3H5ClFNO/c1-6(2-5)3(4)7/h2H2,1H3
InChIKeyGOVGHVDJXBFYND-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.53
LogP ≤ 51.20
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'}

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Related Compounds

N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride
CID 20715975
N-carbonochloridoyl-N-methylcarbamoyl chloride
CID 15555334
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
bis[2-[carbonochloridoyl(methyl)amino]ethyl] carbonate
CID 175058672
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-(18F)fluoroacetyl chloride
CID 24764366
N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
CID 88722025
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(fluoromethyl)-N-methylcarbamoyl chloride (CID 88816847) is N-(fluoromethyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(fluoromethyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(fluoromethyl)-N-methylcarbamoyl chloride is CN(CF)C(=O)Cl.
What is the InChIKey of N-(fluoromethyl)-N-methylcarbamoyl chloride?
The InChIKey is GOVGHVDJXBFYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClFNO/c1-6(2-5)3(4)7/h2H2,1H3.
What are the key properties of N-(fluoromethyl)-N-methylcarbamoyl chloride?
N-(fluoromethyl)-N-methylcarbamoyl chloride has a molecular weight of 125.53 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 88816847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).