N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine

C2F8NOP — CID 23418432

IUPACN-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine
SMILESO=P(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F8NOP/c3-1(4,5)11(2(6,7)8)13(9,10)12
InChIKeySRPXFBIUSAOXTF-UHFFFAOYSA-N
MW236.99 g/mol
LogP3.38
Rot. Bonds1

About N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine

N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine (PubChem CID 23418432) has the molecular formula C2F8NOP and a molecular weight of 236.99 g/mol. Its IUPAC name is N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine.

Molecular Properties

Compound NameN-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine
PubChem CID23418432
Molecular FormulaC2F8NOP
Molecular Weight236.99 g/mol
Exact Mass236.96
IUPAC NameN-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine
SMILESO=P(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F8NOP/c3-1(4,5)11(2(6,7)8)13(9,10)12
InChIKeySRPXFBIUSAOXTF-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.99
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The IUPAC name of N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine (CID 23418432) is N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine.
What is the SMILES notation for N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The canonical SMILES for N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine is O=P(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
The InChIKey is SRPXFBIUSAOXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F8NOP/c3-1(4,5)11(2(6,7)8)13(9,10)12.
What are the key properties of N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine?
N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine has a molecular weight of 236.99 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-difluorophosphoryl-1,1,1-trifluoro-N-(trifluoromethyl)methanamine is sourced from PubChem (CID 23418432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).