1,8-difluoro-3-methylnaphthalene

C11H8F2 — CID 138605074

IUPAC1,8-difluoro-3-methylnaphthalene
SMILESCc1cc(F)c2c(F)cccc2c1
InChIInChI=1S/C11H8F2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6H,1H3
InChIKeyNCYCSDQGMBQWKV-UHFFFAOYSA-N
MW178.18 g/mol
LogP3.43
Rot. Bonds

About 1,8-difluoro-3-methylnaphthalene

1,8-difluoro-3-methylnaphthalene (PubChem CID 138605074) has the molecular formula C11H8F2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 1,8-difluoro-3-methylnaphthalene.

Molecular Properties

Compound Name1,8-difluoro-3-methylnaphthalene
PubChem CID138605074
Molecular FormulaC11H8F2
Molecular Weight178.18 g/mol
Exact Mass178.06
IUPAC Name1,8-difluoro-3-methylnaphthalene
SMILESCc1cc(F)c2c(F)cccc2c1
InChIInChI=1S/C11H8F2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6H,1H3
InChIKeyNCYCSDQGMBQWKV-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 1,8-difluoro-3-methylnaphthalene?
The IUPAC name of 1,8-difluoro-3-methylnaphthalene (CID 138605074) is 1,8-difluoro-3-methylnaphthalene.
What is the SMILES notation for 1,8-difluoro-3-methylnaphthalene?
The canonical SMILES for 1,8-difluoro-3-methylnaphthalene is Cc1cc(F)c2c(F)cccc2c1.
What is the InChIKey of 1,8-difluoro-3-methylnaphthalene?
The InChIKey is NCYCSDQGMBQWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6H,1H3.
What are the key properties of 1,8-difluoro-3-methylnaphthalene?
1,8-difluoro-3-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 1,8-difluoro-3-methylnaphthalene is sourced from PubChem (CID 138605074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).