3,6-difluoro-1-methylnaphthalene

C11H8F2 — CID 138605249

IUPAC3,6-difluoro-1-methylnaphthalene
SMILESCc1cc(F)cc2cc(F)ccc12
InChIInChI=1S/C11H8F2/c1-7-4-10(13)6-8-5-9(12)2-3-11(7)8/h2-6H,1H3
InChIKeyHOOAAVBGMJAAPT-UHFFFAOYSA-N
MW178.18 g/mol
LogP3.43
Rot. Bonds

About 3,6-difluoro-1-methylnaphthalene

3,6-difluoro-1-methylnaphthalene (PubChem CID 138605249) has the molecular formula C11H8F2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 3,6-difluoro-1-methylnaphthalene.

Molecular Properties

Compound Name3,6-difluoro-1-methylnaphthalene
PubChem CID138605249
Molecular FormulaC11H8F2
Molecular Weight178.18 g/mol
Exact Mass178.06
IUPAC Name3,6-difluoro-1-methylnaphthalene
SMILESCc1cc(F)cc2cc(F)ccc12
InChIInChI=1S/C11H8F2/c1-7-4-10(13)6-8-5-9(12)2-3-11(7)8/h2-6H,1H3
InChIKeyHOOAAVBGMJAAPT-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 3,6-difluoro-1-methylnaphthalene?
The IUPAC name of 3,6-difluoro-1-methylnaphthalene (CID 138605249) is 3,6-difluoro-1-methylnaphthalene.
What is the SMILES notation for 3,6-difluoro-1-methylnaphthalene?
The canonical SMILES for 3,6-difluoro-1-methylnaphthalene is Cc1cc(F)cc2cc(F)ccc12.
What is the InChIKey of 3,6-difluoro-1-methylnaphthalene?
The InChIKey is HOOAAVBGMJAAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2/c1-7-4-10(13)6-8-5-9(12)2-3-11(7)8/h2-6H,1H3.
What are the key properties of 3,6-difluoro-1-methylnaphthalene?
3,6-difluoro-1-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 3,6-difluoro-1-methylnaphthalene is sourced from PubChem (CID 138605249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).