N,N'-difluoro-N,N'-diphenylethane-1,2-diamine

C14H14F2N2 — CID 87330644

IUPACN,N'-difluoro-N,N'-diphenylethane-1,2-diamine
SMILESFN(CCN(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14F2N2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyDYGLXYDXLXFMEX-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.77
Rot. Bonds5

About N,N'-difluoro-N,N'-diphenylethane-1,2-diamine

N,N'-difluoro-N,N'-diphenylethane-1,2-diamine (PubChem CID 87330644) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N,N'-difluoro-N,N'-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-difluoro-N,N'-diphenylethane-1,2-diamine
PubChem CID87330644
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN,N'-difluoro-N,N'-diphenylethane-1,2-diamine
SMILESFN(CCN(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14F2N2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyDYGLXYDXLXFMEX-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-difluoro-N,N'-diphenylethane-1,2-diamine 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,N'-difluoro-N,N'-diphenylethane-1,2-diamine?
The IUPAC name of N,N'-difluoro-N,N'-diphenylethane-1,2-diamine (CID 87330644) is N,N'-difluoro-N,N'-diphenylethane-1,2-diamine.
What is the SMILES notation for N,N'-difluoro-N,N'-diphenylethane-1,2-diamine?
The canonical SMILES for N,N'-difluoro-N,N'-diphenylethane-1,2-diamine is FN(CCN(F)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-difluoro-N,N'-diphenylethane-1,2-diamine?
The InChIKey is DYGLXYDXLXFMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of N,N'-difluoro-N,N'-diphenylethane-1,2-diamine?
N,N'-difluoro-N,N'-diphenylethane-1,2-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-difluoro-N,N'-diphenylethane-1,2-diamine is sourced from PubChem (CID 87330644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).