carbamoyl fluoride;hydrochloride

CH3ClFNO — CID 175206669

IUPACcarbamoyl fluoride;hydrochloride
SMILESCl.NC(=O)F
InChIInChI=1S/CH2FNO.ClH/c2-1(3)4;/h(H2,3,4);1H
InChIKeyRXOBLSOCGWESFU-UHFFFAOYSA-N
MW99.49 g/mol
LogP0.46
Rot. Bonds

About carbamoyl fluoride;hydrochloride

carbamoyl fluoride;hydrochloride (PubChem CID 175206669) has the molecular formula CH3ClFNO and a molecular weight of 99.49 g/mol. Its IUPAC name is carbamoyl fluoride;hydrochloride.

Molecular Properties

Compound Namecarbamoyl fluoride;hydrochloride
PubChem CID175206669
Molecular FormulaCH3ClFNO
Molecular Weight99.49 g/mol
Exact Mass98.99
IUPAC Namecarbamoyl fluoride;hydrochloride
SMILESCl.NC(=O)F
InChIInChI=1S/CH2FNO.ClH/c2-1(3)4;/h(H2,3,4);1H
InChIKeyRXOBLSOCGWESFU-UHFFFAOYSA-N
XLogP0.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.49
LogP ≤ 50.46
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'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl fluoride;hydrochloride?
The IUPAC name of carbamoyl fluoride;hydrochloride (CID 175206669) is carbamoyl fluoride;hydrochloride.
What is the SMILES notation for carbamoyl fluoride;hydrochloride?
The canonical SMILES for carbamoyl fluoride;hydrochloride is Cl.NC(=O)F.
What is the InChIKey of carbamoyl fluoride;hydrochloride?
The InChIKey is RXOBLSOCGWESFU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2FNO.ClH/c2-1(3)4;/h(H2,3,4);1H.
What are the key properties of carbamoyl fluoride;hydrochloride?
carbamoyl fluoride;hydrochloride has a molecular weight of 99.49 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl fluoride;hydrochloride is sourced from PubChem (CID 175206669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).