(1Z)-1-chloro-N-fluoromethanimidoyl fluoride

CClF2N — CID 23235945

IUPAC(1Z)-1-chloro-N-fluoromethanimidoyl fluoride
SMILESF/N=C(/F)Cl
InChIInChI=1S/CClF2N/c2-1(3)5-4/b5-1+
InChIKeyKPBJPQNFRPFILZ-ORCRQEGFSA-N
MW99.47 g/mol
LogP1.44
Rot. Bonds

About (1Z)-1-chloro-N-fluoromethanimidoyl fluoride

(1Z)-1-chloro-N-fluoromethanimidoyl fluoride (PubChem CID 23235945) has the molecular formula CClF2N and a molecular weight of 99.47 g/mol. Its IUPAC name is (1Z)-1-chloro-N-fluoromethanimidoyl fluoride.

Molecular Properties

Compound Name(1Z)-1-chloro-N-fluoromethanimidoyl fluoride
PubChem CID23235945
Molecular FormulaCClF2N
Molecular Weight99.47 g/mol
Exact Mass98.97
IUPAC Name(1Z)-1-chloro-N-fluoromethanimidoyl fluoride
SMILESF/N=C(/F)Cl
InChIInChI=1S/CClF2N/c2-1(3)5-4/b5-1+
InChIKeyKPBJPQNFRPFILZ-ORCRQEGFSA-N
XLogP1.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.47
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-chloro-N-fluoromethanimidoyl fluoride?
The IUPAC name of (1Z)-1-chloro-N-fluoromethanimidoyl fluoride (CID 23235945) is (1Z)-1-chloro-N-fluoromethanimidoyl fluoride.
What is the SMILES notation for (1Z)-1-chloro-N-fluoromethanimidoyl fluoride?
The canonical SMILES for (1Z)-1-chloro-N-fluoromethanimidoyl fluoride is F/N=C(/F)Cl.
What is the InChIKey of (1Z)-1-chloro-N-fluoromethanimidoyl fluoride?
The InChIKey is KPBJPQNFRPFILZ-ORCRQEGFSA-N. The full InChI is InChI=1S/CClF2N/c2-1(3)5-4/b5-1+.
What are the key properties of (1Z)-1-chloro-N-fluoromethanimidoyl fluoride?
(1Z)-1-chloro-N-fluoromethanimidoyl fluoride has a molecular weight of 99.47 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-chloro-N-fluoromethanimidoyl fluoride is sourced from PubChem (CID 23235945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).