N'-(2,2-difluoroethyl)propane-1,3-diamine

C5H12F2N2 — CID 62273148

IUPACN'-(2,2-difluoroethyl)propane-1,3-diamine
SMILESNCCCNCC(F)F
InChIInChI=1S/C5H12F2N2/c6-5(7)4-9-3-1-2-8/h5,9H,1-4,8H2
InChIKeyJFBMEZSUEISXPM-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.19
Rot. Bonds5

About N'-(2,2-difluoroethyl)propane-1,3-diamine

N'-(2,2-difluoroethyl)propane-1,3-diamine (PubChem CID 62273148) has the molecular formula C5H12F2N2 and a molecular weight of 138.16 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)propane-1,3-diamine
PubChem CID62273148
Molecular FormulaC5H12F2N2
Molecular Weight138.16 g/mol
Exact Mass138.10
IUPAC NameN'-(2,2-difluoroethyl)propane-1,3-diamine
SMILESNCCCNCC(F)F
InChIInChI=1S/C5H12F2N2/c6-5(7)4-9-3-1-2-8/h5,9H,1-4,8H2
InChIKeyJFBMEZSUEISXPM-UHFFFAOYSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2,2-difluoroethyl)propane-1,3-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'-(2,2-difluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)propane-1,3-diamine (CID 62273148) is N'-(2,2-difluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)propane-1,3-diamine is NCCCNCC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)propane-1,3-diamine?
The InChIKey is JFBMEZSUEISXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2/c6-5(7)4-9-3-1-2-8/h5,9H,1-4,8H2.
What are the key properties of N'-(2,2-difluoroethyl)propane-1,3-diamine?
N'-(2,2-difluoroethyl)propane-1,3-diamine has a molecular weight of 138.16 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62273148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).