N-chloro-N-fluoromethanamine

CH3ClFN — CID 57464082

IUPACN-chloro-N-fluoromethanamine
SMILESCN(F)Cl
InChIInChI=1S/CH3ClFN/c1-4(2)3/h1H3
InChIKeyJQQTXMAXRSLXTF-UHFFFAOYSA-N
MW83.49 g/mol
LogP0.96
Rot. Bonds

About N-chloro-N-fluoromethanamine

N-chloro-N-fluoromethanamine (PubChem CID 57464082) has the molecular formula CH3ClFN and a molecular weight of 83.49 g/mol. Its IUPAC name is N-chloro-N-fluoromethanamine.

Molecular Properties

Compound NameN-chloro-N-fluoromethanamine
PubChem CID57464082
Molecular FormulaCH3ClFN
Molecular Weight83.49 g/mol
Exact Mass82.99
IUPAC NameN-chloro-N-fluoromethanamine
SMILESCN(F)Cl
InChIInChI=1S/CH3ClFN/c1-4(2)3/h1H3
InChIKeyJQQTXMAXRSLXTF-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.49
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-fluoromethanamine?
The IUPAC name of N-chloro-N-fluoromethanamine (CID 57464082) is N-chloro-N-fluoromethanamine.
What is the SMILES notation for N-chloro-N-fluoromethanamine?
The canonical SMILES for N-chloro-N-fluoromethanamine is CN(F)Cl.
What is the InChIKey of N-chloro-N-fluoromethanamine?
The InChIKey is JQQTXMAXRSLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClFN/c1-4(2)3/h1H3.
What are the key properties of N-chloro-N-fluoromethanamine?
N-chloro-N-fluoromethanamine has a molecular weight of 83.49 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-fluoromethanamine is sourced from PubChem (CID 57464082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).