N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine

CH3ClF3NOP2S — CID 550265

IUPACN-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine
SMILESCN(P(=O)(F)Cl)P(F)(F)=S
InChIInChI=1S/CH3ClF3NOP2S/c1-6(8(2,3)7)9(4,5)10/h1H3
InChIKeyIUHLPOCQANNLIX-UHFFFAOYSA-N
MW231.50 g/mol
LogP3.40
Rot. Bonds2

About N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine

N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine (PubChem CID 550265) has the molecular formula CH3ClF3NOP2S and a molecular weight of 231.50 g/mol. Its IUPAC name is N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine.

Molecular Properties

Compound NameN-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine
PubChem CID550265
Molecular FormulaCH3ClF3NOP2S
Molecular Weight231.50 g/mol
Exact Mass230.91
IUPAC NameN-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine
SMILESCN(P(=O)(F)Cl)P(F)(F)=S
InChIInChI=1S/CH3ClF3NOP2S/c1-6(8(2,3)7)9(4,5)10/h1H3
InChIKeyIUHLPOCQANNLIX-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine?
The IUPAC name of N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine (CID 550265) is N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine.
What is the SMILES notation for N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine?
The canonical SMILES for N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine is CN(P(=O)(F)Cl)P(F)(F)=S.
What is the InChIKey of N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine?
The InChIKey is IUHLPOCQANNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClF3NOP2S/c1-6(8(2,3)7)9(4,5)10/h1H3.
What are the key properties of N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine?
N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine has a molecular weight of 231.50 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(fluoro)phosphoryl]-N-difluorophosphinothioylmethanamine is sourced from PubChem (CID 550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).