4-fluoro-2-naphthalen-2-ylsulfanylaniline

C16H12FNS — CID 62376124

IUPAC4-fluoro-2-naphthalen-2-ylsulfanylaniline
SMILESNc1ccc(F)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H12FNS/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKeyLZAQPDJZZFDSLH-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.71
Rot. Bonds2

About 4-fluoro-2-naphthalen-2-ylsulfanylaniline

4-fluoro-2-naphthalen-2-ylsulfanylaniline (PubChem CID 62376124) has the molecular formula C16H12FNS and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-fluoro-2-naphthalen-2-ylsulfanylaniline.

Molecular Properties

Compound Name4-fluoro-2-naphthalen-2-ylsulfanylaniline
PubChem CID62376124
Molecular FormulaC16H12FNS
Molecular Weight269.34 g/mol
Exact Mass269.07
IUPAC Name4-fluoro-2-naphthalen-2-ylsulfanylaniline
SMILESNc1ccc(F)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H12FNS/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKeyLZAQPDJZZFDSLH-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
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-naphthalen-2-ylsulfanylaniline?
The IUPAC name of 4-fluoro-2-naphthalen-2-ylsulfanylaniline (CID 62376124) is 4-fluoro-2-naphthalen-2-ylsulfanylaniline.
What is the SMILES notation for 4-fluoro-2-naphthalen-2-ylsulfanylaniline?
The canonical SMILES for 4-fluoro-2-naphthalen-2-ylsulfanylaniline is Nc1ccc(F)cc1Sc1ccc2ccccc2c1.
What is the InChIKey of 4-fluoro-2-naphthalen-2-ylsulfanylaniline?
The InChIKey is LZAQPDJZZFDSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNS/c17-13-6-8-15(18)16(10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2.
What are the key properties of 4-fluoro-2-naphthalen-2-ylsulfanylaniline?
4-fluoro-2-naphthalen-2-ylsulfanylaniline has a molecular weight of 269.34 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-naphthalen-2-ylsulfanylaniline is sourced from PubChem (CID 62376124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).