N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride

C4H6F3NO — CID 135080758

IUPACN-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride
SMILESCN(C(=O)F)C(C)(F)F
InChIInChI=1S/C4H6F3NO/c1-4(6,7)8(2)3(5)9/h1-2H3
InChIKeyLTXWCTSZMYSONE-UHFFFAOYSA-N
MW141.09 g/mol
LogP1.62
Rot. Bonds1

About N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride

N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride (PubChem CID 135080758) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride
PubChem CID135080758
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC NameN-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride
SMILESCN(C(=O)F)C(C)(F)F
InChIInChI=1S/C4H6F3NO/c1-4(6,7)8(2)3(5)9/h1-2H3
InChIKeyLTXWCTSZMYSONE-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride?
The IUPAC name of N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride (CID 135080758) is N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride.
What is the SMILES notation for N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride?
The canonical SMILES for N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride is CN(C(=O)F)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride?
The InChIKey is LTXWCTSZMYSONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-4(6,7)8(2)3(5)9/h1-2H3.
What are the key properties of N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride?
N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride has a molecular weight of 141.09 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride is sourced from PubChem (CID 135080758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).