1,2-difluoro-5-methylnaphthalene

C11H8F2 — CID 54417712

IUPAC1,2-difluoro-5-methylnaphthalene
SMILESCc1cccc2c(F)c(F)ccc12
InChIInChI=1S/C11H8F2/c1-7-3-2-4-9-8(7)5-6-10(12)11(9)13/h2-6H,1H3
InChIKeyYKQSGTDDZJQGFN-UHFFFAOYSA-N
MW178.18 g/mol
LogP3.43
Rot. Bonds

About 1,2-difluoro-5-methylnaphthalene

1,2-difluoro-5-methylnaphthalene (PubChem CID 54417712) has the molecular formula C11H8F2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 1,2-difluoro-5-methylnaphthalene.

Molecular Properties

Compound Name1,2-difluoro-5-methylnaphthalene
PubChem CID54417712
Molecular FormulaC11H8F2
Molecular Weight178.18 g/mol
Exact Mass178.06
IUPAC Name1,2-difluoro-5-methylnaphthalene
SMILESCc1cccc2c(F)c(F)ccc12
InChIInChI=1S/C11H8F2/c1-7-3-2-4-9-8(7)5-6-10(12)11(9)13/h2-6H,1H3
InChIKeyYKQSGTDDZJQGFN-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-5-methylnaphthalene?
The IUPAC name of 1,2-difluoro-5-methylnaphthalene (CID 54417712) is 1,2-difluoro-5-methylnaphthalene.
What is the SMILES notation for 1,2-difluoro-5-methylnaphthalene?
The canonical SMILES for 1,2-difluoro-5-methylnaphthalene is Cc1cccc2c(F)c(F)ccc12.
What is the InChIKey of 1,2-difluoro-5-methylnaphthalene?
The InChIKey is YKQSGTDDZJQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2/c1-7-3-2-4-9-8(7)5-6-10(12)11(9)13/h2-6H,1H3.
What are the key properties of 1,2-difluoro-5-methylnaphthalene?
1,2-difluoro-5-methylnaphthalene has a molecular weight of 178.18 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-5-methylnaphthalene is sourced from PubChem (CID 54417712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).