6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene

C20H18F2 — CID 170094714

IUPAC6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene
SMILESCc1cc2ccc(Cc3ccc(F)c(F)c3C)cc2cc1C
InChIInChI=1S/C20H18F2/c1-12-8-17-5-4-15(11-18(17)9-13(12)2)10-16-6-7-19(21)20(22)14(16)3/h4-9,11H,10H2,1-3H3
InChIKeyRXYBHHBFMGAGIK-UHFFFAOYSA-N
MW296.36 g/mol
LogP5.63
Rot. Bonds2

About 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene

6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene (PubChem CID 170094714) has the molecular formula C20H18F2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene.

Molecular Properties

Compound Name6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene
PubChem CID170094714
Molecular FormulaC20H18F2
Molecular Weight296.36 g/mol
Exact Mass296.14
IUPAC Name6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene
SMILESCc1cc2ccc(Cc3ccc(F)c(F)c3C)cc2cc1C
InChIInChI=1S/C20H18F2/c1-12-8-17-5-4-15(11-18(17)9-13(12)2)10-16-6-7-19(21)20(22)14(16)3/h4-9,11H,10H2,1-3H3
InChIKeyRXYBHHBFMGAGIK-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.36
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene?
The IUPAC name of 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene (CID 170094714) is 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene.
What is the SMILES notation for 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene?
The canonical SMILES for 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene is Cc1cc2ccc(Cc3ccc(F)c(F)c3C)cc2cc1C.
What is the InChIKey of 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene?
The InChIKey is RXYBHHBFMGAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2/c1-12-8-17-5-4-15(11-18(17)9-13(12)2)10-16-6-7-19(21)20(22)14(16)3/h4-9,11H,10H2,1-3H3.
What are the key properties of 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene?
6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene has a molecular weight of 296.36 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluoro-2-methylphenyl)methyl]-2,3-dimethylnaphthalene is sourced from PubChem (CID 170094714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).