1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene

C17H12ClF — CID 146211188

IUPAC1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1-c1cc(Cl)ccc1F
InChIInChI=1S/C17H12ClF/c1-11-6-7-12-4-2-3-5-14(12)17(11)15-10-13(18)8-9-16(15)19/h2-10H,1H3
InChIKeyKUZSPGLIEKGPQG-UHFFFAOYSA-N
MW270.73 g/mol
LogP5.61
Rot. Bonds1

About 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene

1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene (PubChem CID 146211188) has the molecular formula C17H12ClF and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
PubChem CID146211188
Molecular FormulaC17H12ClF
Molecular Weight270.73 g/mol
Exact Mass270.06
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1-c1cc(Cl)ccc1F
InChIInChI=1S/C17H12ClF/c1-11-6-7-12-4-2-3-5-14(12)17(11)15-10-13(18)8-9-16(15)19/h2-10H,1H3
InChIKeyKUZSPGLIEKGPQG-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.73
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene (CID 146211188) is 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene is Cc1ccc2ccccc2c1-c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene?
The InChIKey is KUZSPGLIEKGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF/c1-11-6-7-12-4-2-3-5-14(12)17(11)15-10-13(18)8-9-16(15)19/h2-10H,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene?
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene has a molecular weight of 270.73 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene is sourced from PubChem (CID 146211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).