2,8-difluoronaphthalene-1,5-diamine

C10H8F2N2 — CID 18457200

IUPAC2,8-difluoronaphthalene-1,5-diamine
SMILESNc1ccc(F)c2c(N)c(F)ccc12
InChIInChI=1S/C10H8F2N2/c11-6-3-4-8(13)5-1-2-7(12)10(14)9(5)6/h1-4H,13-14H2
InChIKeyKWIWXOPUXOUHNI-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.28
Rot. Bonds

About 2,8-difluoronaphthalene-1,5-diamine

2,8-difluoronaphthalene-1,5-diamine (PubChem CID 18457200) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2,8-difluoronaphthalene-1,5-diamine.

Molecular Properties

Compound Name2,8-difluoronaphthalene-1,5-diamine
PubChem CID18457200
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name2,8-difluoronaphthalene-1,5-diamine
SMILESNc1ccc(F)c2c(N)c(F)ccc12
InChIInChI=1S/C10H8F2N2/c11-6-3-4-8(13)5-1-2-7(12)10(14)9(5)6/h1-4H,13-14H2
InChIKeyKWIWXOPUXOUHNI-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'}

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Related Compounds

3,8-difluoronaphthalene-1,5-diamine
CID 18457203
8-fluoro-1-methylisoquinolin-5-amine
CID 115014664
1-chloro-8-fluoroisoquinolin-5-amine
CID 115020872
4-amino-7-fluoro-2H-isoindol-1-ol
CID 91052579
4,7-difluoronaphthalen-1-amine
CID 115015314
4-fluoro-2-iodobenzene-1,3-diamine
CID 135395533
3,4-difluorobenzene-1,2-diamine
CID 2736753
5-amino-4,8-difluoronaphthalen-1-ol
CID 18457395
6-chloronaphthalene-1,4-diamine
CID 21424529
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
4-fluoro-3-iodo-2H-indazol-7-amine
CID 24729238
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364

Frequently Asked Questions

What is the IUPAC name of 2,8-difluoronaphthalene-1,5-diamine?
The IUPAC name of 2,8-difluoronaphthalene-1,5-diamine (CID 18457200) is 2,8-difluoronaphthalene-1,5-diamine.
What is the SMILES notation for 2,8-difluoronaphthalene-1,5-diamine?
The canonical SMILES for 2,8-difluoronaphthalene-1,5-diamine is Nc1ccc(F)c2c(N)c(F)ccc12.
What is the InChIKey of 2,8-difluoronaphthalene-1,5-diamine?
The InChIKey is KWIWXOPUXOUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-6-3-4-8(13)5-1-2-7(12)10(14)9(5)6/h1-4H,13-14H2.
What are the key properties of 2,8-difluoronaphthalene-1,5-diamine?
2,8-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 2,8-difluoronaphthalene-1,5-diamine is sourced from PubChem (CID 18457200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).