3,8-difluoronaphthalene-1,5-diamine

C10H8F2N2 — CID 18457203

IUPAC3,8-difluoronaphthalene-1,5-diamine
SMILESNc1ccc(F)c2c(N)cc(F)cc12
InChIInChI=1S/C10H8F2N2/c11-5-3-6-8(13)2-1-7(12)10(6)9(14)4-5/h1-4H,13-14H2
InChIKeyPTDPAHLPJDWJHF-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.28
Rot. Bonds

About 3,8-difluoronaphthalene-1,5-diamine

3,8-difluoronaphthalene-1,5-diamine (PubChem CID 18457203) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3,8-difluoronaphthalene-1,5-diamine.

Molecular Properties

Compound Name3,8-difluoronaphthalene-1,5-diamine
PubChem CID18457203
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name3,8-difluoronaphthalene-1,5-diamine
SMILESNc1ccc(F)c2c(N)cc(F)cc12
InChIInChI=1S/C10H8F2N2/c11-5-3-6-8(13)2-1-7(12)10(6)9(14)4-5/h1-4H,13-14H2
InChIKeyPTDPAHLPJDWJHF-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-difluoronaphthalene-1,5-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 3,8-difluoronaphthalene-1,5-diamine?
The IUPAC name of 3,8-difluoronaphthalene-1,5-diamine (CID 18457203) is 3,8-difluoronaphthalene-1,5-diamine.
What is the SMILES notation for 3,8-difluoronaphthalene-1,5-diamine?
The canonical SMILES for 3,8-difluoronaphthalene-1,5-diamine is Nc1ccc(F)c2c(N)cc(F)cc12.
What is the InChIKey of 3,8-difluoronaphthalene-1,5-diamine?
The InChIKey is PTDPAHLPJDWJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-5-3-6-8(13)2-1-7(12)10(6)9(14)4-5/h1-4H,13-14H2.
What are the key properties of 3,8-difluoronaphthalene-1,5-diamine?
3,8-difluoronaphthalene-1,5-diamine has a molecular weight of 194.18 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-difluoronaphthalene-1,5-diamine is sourced from PubChem (CID 18457203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).