N-fluorocarbamoyl fluoride

CHF2NO — CID 86244682

IUPACN-fluorocarbamoyl fluoride
SMILESO=C(F)NF
InChIInChI=1S/CHF2NO/c2-1(5)4-3/h(H,4,5)
InChIKeyDGPXADKBFUQXLO-UHFFFAOYSA-N
MW81.02 g/mol
LogP0.55
Rot. Bonds

About N-fluorocarbamoyl fluoride

N-fluorocarbamoyl fluoride (PubChem CID 86244682) has the molecular formula CHF2NO and a molecular weight of 81.02 g/mol. Its IUPAC name is N-fluorocarbamoyl fluoride.

Molecular Properties

Compound NameN-fluorocarbamoyl fluoride
PubChem CID86244682
Molecular FormulaCHF2NO
Molecular Weight81.02 g/mol
Exact Mass81.00
IUPAC NameN-fluorocarbamoyl fluoride
SMILESO=C(F)NF
InChIInChI=1S/CHF2NO/c2-1(5)4-3/h(H,4,5)
InChIKeyDGPXADKBFUQXLO-UHFFFAOYSA-N
XLogP0.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.02
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluorocarbamoyl fluoride?
The IUPAC name of N-fluorocarbamoyl fluoride (CID 86244682) is N-fluorocarbamoyl fluoride.
What is the SMILES notation for N-fluorocarbamoyl fluoride?
The canonical SMILES for N-fluorocarbamoyl fluoride is O=C(F)NF.
What is the InChIKey of N-fluorocarbamoyl fluoride?
The InChIKey is DGPXADKBFUQXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF2NO/c2-1(5)4-3/h(H,4,5).
What are the key properties of N-fluorocarbamoyl fluoride?
N-fluorocarbamoyl fluoride has a molecular weight of 81.02 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluorocarbamoyl fluoride is sourced from PubChem (CID 86244682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).