4-chloro-2-(4-fluoronaphthalen-1-yl)aniline

C16H11ClFN — CID 81274759

IUPAC4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(F)c2ccccc12
InChIInChI=1S/C16H11ClFN/c17-10-5-8-16(19)14(9-10)12-6-7-15(18)13-4-2-1-3-11(12)13/h1-9H,19H2
InChIKeyLQYWZLLTSLGOEB-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.88
Rot. Bonds1

About 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline

4-chloro-2-(4-fluoronaphthalen-1-yl)aniline (PubChem CID 81274759) has the molecular formula C16H11ClFN and a molecular weight of 271.72 g/mol. Its IUPAC name is 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
PubChem CID81274759
Molecular FormulaC16H11ClFN
Molecular Weight271.72 g/mol
Exact Mass271.06
IUPAC Name4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(F)c2ccccc12
InChIInChI=1S/C16H11ClFN/c17-10-5-8-16(19)14(9-10)12-6-7-15(18)13-4-2-1-3-11(12)13/h1-9H,19H2
InChIKeyLQYWZLLTSLGOEB-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloronaphthylamine
CID 78408
5-Chloronaphthalen-1-amine
CID 4455053
8-Chloronaphthalen-1-amine
CID 12385340
4-Chloro-2-phenylaniline
CID 239637
7-Chloronaphthalen-1-amine
CID 12347530
6-Chloronaphthalen-1-amine
CID 23423648
4-Chloro-2-(1-phenylethenyl)aniline
CID 11107143
2-(1-Naphthyl)aniline
CID 21388763
1-Naphthalenamine, 4-((4-chlorophenyl)azo)-
CID 23338729
5-Chloro-4'-fluorobiphenyl-2-amine
CID 58482988
C14H9Cl2N
CID 21670807
4-Chloro-2-[1-(2-fluorophenyl)ethenyl]aniline
CID 11032208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline?
The IUPAC name of 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline (CID 81274759) is 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline.
What is the SMILES notation for 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline?
The canonical SMILES for 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline is Nc1ccc(Cl)cc1-c1ccc(F)c2ccccc12.
What is the InChIKey of 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline?
The InChIKey is LQYWZLLTSLGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN/c17-10-5-8-16(19)14(9-10)12-6-7-15(18)13-4-2-1-3-11(12)13/h1-9H,19H2.
What are the key properties of 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline?
4-chloro-2-(4-fluoronaphthalen-1-yl)aniline has a molecular weight of 271.72 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluoronaphthalen-1-yl)aniline is sourced from PubChem (CID 81274759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).