2-(4-chloronaphthalen-1-yl)-5-fluoroaniline

C16H11ClFN — CID 107627228

IUPAC2-(4-chloronaphthalen-1-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClFN/c17-15-8-7-12(11-3-1-2-4-13(11)15)14-6-5-10(18)9-16(14)19/h1-9H,19H2
InChIKeyBDCQQUGWJMJZSS-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.88
Rot. Bonds1

About 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline

2-(4-chloronaphthalen-1-yl)-5-fluoroaniline (PubChem CID 107627228) has the molecular formula C16H11ClFN and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)-5-fluoroaniline
PubChem CID107627228
Molecular FormulaC16H11ClFN
Molecular Weight271.72 g/mol
Exact Mass271.06
IUPAC Name2-(4-chloronaphthalen-1-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClFN/c17-15-8-7-12(11-3-1-2-4-13(11)15)14-6-5-10(18)9-16(14)19/h1-9H,19H2
InChIKeyBDCQQUGWJMJZSS-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline (CID 107627228) is 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline is Nc1cc(F)ccc1-c1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline?
The InChIKey is BDCQQUGWJMJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN/c17-15-8-7-12(11-3-1-2-4-13(11)15)14-6-5-10(18)9-16(14)19/h1-9H,19H2.
What are the key properties of 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline?
2-(4-chloronaphthalen-1-yl)-5-fluoroaniline 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 2-(4-chloronaphthalen-1-yl)-5-fluoroaniline is sourced from PubChem (CID 107627228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).