2,2-difluoro-N-methyl-2-phosphanylethanamine

C3H8F2NP — CID 142316406

IUPAC2,2-difluoro-N-methyl-2-phosphanylethanamine
SMILESCNCC(F)(F)P
InChIInChI=1S/C3H8F2NP/c1-6-2-3(4,5)7/h6H,2,7H2,1H3
InChIKeyJOHGDCYHNQUENP-UHFFFAOYSA-N
MW127.07 g/mol
LogP0.67
Rot. Bonds2

About 2,2-difluoro-N-methyl-2-phosphanylethanamine

2,2-difluoro-N-methyl-2-phosphanylethanamine (PubChem CID 142316406) has the molecular formula C3H8F2NP and a molecular weight of 127.07 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-phosphanylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-2-phosphanylethanamine
PubChem CID142316406
Molecular FormulaC3H8F2NP
Molecular Weight127.07 g/mol
Exact Mass127.04
IUPAC Name2,2-difluoro-N-methyl-2-phosphanylethanamine
SMILESCNCC(F)(F)P
InChIInChI=1S/C3H8F2NP/c1-6-2-3(4,5)7/h6H,2,7H2,1H3
InChIKeyJOHGDCYHNQUENP-UHFFFAOYSA-N
XLogP0.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.07
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-methyl-2-phosphanylethanamine 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 2,2-difluoro-N-methyl-2-phosphanylethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-2-phosphanylethanamine (CID 142316406) is 2,2-difluoro-N-methyl-2-phosphanylethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-2-phosphanylethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-2-phosphanylethanamine is CNCC(F)(F)P.
What is the InChIKey of 2,2-difluoro-N-methyl-2-phosphanylethanamine?
The InChIKey is JOHGDCYHNQUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2NP/c1-6-2-3(4,5)7/h6H,2,7H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-2-phosphanylethanamine?
2,2-difluoro-N-methyl-2-phosphanylethanamine has a molecular weight of 127.07 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-2-phosphanylethanamine is sourced from PubChem (CID 142316406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).