1-(difluoromethoxy)-6,7-dimethylnaphthalene

C13H12F2O — CID 56838953

IUPAC1-(difluoromethoxy)-6,7-dimethylnaphthalene
SMILESCc1cc2cccc(OC(F)F)c2cc1C
InChIInChI=1S/C13H12F2O/c1-8-6-10-4-3-5-12(16-13(14)15)11(10)7-9(8)2/h3-7,13H,1-2H3
InChIKeyCQDOWGGJRJHCCG-UHFFFAOYSA-N
MW222.23 g/mol
LogP4.06
Rot. Bonds2

About 1-(difluoromethoxy)-6,7-dimethylnaphthalene

1-(difluoromethoxy)-6,7-dimethylnaphthalene (PubChem CID 56838953) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-(difluoromethoxy)-6,7-dimethylnaphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)-6,7-dimethylnaphthalene
PubChem CID56838953
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name1-(difluoromethoxy)-6,7-dimethylnaphthalene
SMILESCc1cc2cccc(OC(F)F)c2cc1C
InChIInChI=1S/C13H12F2O/c1-8-6-10-4-3-5-12(16-13(14)15)11(10)7-9(8)2/h3-7,13H,1-2H3
InChIKeyCQDOWGGJRJHCCG-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-bis(difluoromethoxy)naphthalene
CID 166641341
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
5-(difluoromethoxy)naphthalene-2-carbonyl chloride
CID 118830237
1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
CID 157339906
2,3-bis(difluoromethoxy)naphthalene
CID 119020355
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine
CID 13202805
2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
CID 18073533
1-(1-phenylethoxy)anthracene
CID 87845539

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-6,7-dimethylnaphthalene?
The IUPAC name of 1-(difluoromethoxy)-6,7-dimethylnaphthalene (CID 56838953) is 1-(difluoromethoxy)-6,7-dimethylnaphthalene.
What is the SMILES notation for 1-(difluoromethoxy)-6,7-dimethylnaphthalene?
The canonical SMILES for 1-(difluoromethoxy)-6,7-dimethylnaphthalene is Cc1cc2cccc(OC(F)F)c2cc1C.
What is the InChIKey of 1-(difluoromethoxy)-6,7-dimethylnaphthalene?
The InChIKey is CQDOWGGJRJHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O/c1-8-6-10-4-3-5-12(16-13(14)15)11(10)7-9(8)2/h3-7,13H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-6,7-dimethylnaphthalene?
1-(difluoromethoxy)-6,7-dimethylnaphthalene has a molecular weight of 222.23 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-6,7-dimethylnaphthalene is sourced from PubChem (CID 56838953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).