4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine

C16H12FIN2 — CID 66100498

IUPAC4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1Nc1ccc2ccccc2c1
InChIInChI=1S/C16H12FIN2/c17-13-8-16(15(19)9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,20H,19H2
InChIKeyAVDVJSQZNRZDBR-UHFFFAOYSA-N
MW378.19 g/mol
LogP4.91
Rot. Bonds2

About 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine

4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine (PubChem CID 66100498) has the molecular formula C16H12FIN2 and a molecular weight of 378.19 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine
PubChem CID66100498
Molecular FormulaC16H12FIN2
Molecular Weight378.19 g/mol
Exact Mass378.00
IUPAC Name4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1Nc1ccc2ccccc2c1
InChIInChI=1S/C16H12FIN2/c17-13-8-16(15(19)9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,20H,19H2
InChIKeyAVDVJSQZNRZDBR-UHFFFAOYSA-N
XLogP4.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-N-phenylbenzene-1,2-diamine
CID 66101823
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102226
4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 62376460
4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66101051
4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 66102468
2-N-(4-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100055
2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine (CID 66100498) is 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine is Nc1cc(I)c(F)cc1Nc1ccc2ccccc2c1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The InChIKey is AVDVJSQZNRZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN2/c17-13-8-16(15(19)9-14(13)18)20-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,20H,19H2.
What are the key properties of 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine?
4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine has a molecular weight of 378.19 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 66100498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).