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

C16H13FN2 — CID 62376460

IUPAC4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1ccc2ccccc2c1
InChIInChI=1S/C16H13FN2/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19H,18H2
InChIKeyKEZFZLKELUMOHM-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.30
Rot. Bonds2

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

4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine (PubChem CID 62376460) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
PubChem CID62376460
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
SMILESNc1ccc(F)cc1Nc1ccc2ccccc2c1
InChIInChI=1S/C16H13FN2/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19H,18H2
InChIKeyKEZFZLKELUMOHM-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine (CID 62376460) is 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine is Nc1ccc(F)cc1Nc1ccc2ccccc2c1.
What is the InChIKey of 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The InChIKey is KEZFZLKELUMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19H,18H2.
What are the key properties of 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine?
4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine has a molecular weight of 252.29 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 62376460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).