2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene

C17H11F3 — CID 58708800

IUPAC2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene
SMILESCc1c(F)cc(-c2ccc3cc(F)ccc3c2)cc1F
InChIInChI=1S/C17H11F3/c1-10-16(19)8-14(9-17(10)20)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-9H,1H3
InChIKeyBRHUUHSJZQECFA-UHFFFAOYSA-N
MW272.27 g/mol
LogP5.23
Rot. Bonds1

About 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene

2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene (PubChem CID 58708800) has the molecular formula C17H11F3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene
PubChem CID58708800
Molecular FormulaC17H11F3
Molecular Weight272.27 g/mol
Exact Mass272.08
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene
SMILESCc1c(F)cc(-c2ccc3cc(F)ccc3c2)cc1F
InChIInChI=1S/C17H11F3/c1-10-16(19)8-14(9-17(10)20)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-9H,1H3
InChIKeyBRHUUHSJZQECFA-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.27
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene (CID 58708800) is 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene is Cc1c(F)cc(-c2ccc3cc(F)ccc3c2)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene?
The InChIKey is BRHUUHSJZQECFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3/c1-10-16(19)8-14(9-17(10)20)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-9H,1H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene?
2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene has a molecular weight of 272.27 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-6-fluoronaphthalene is sourced from PubChem (CID 58708800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).