1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene

C11H6F8O — CID 165383709

IUPAC1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
SMILESCOc1ccc2c(c1)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11H6F8O/c1-20-5-2-3-6-7(4-5)9(14,15)11(18,19)10(16,17)8(6,12)13/h2-4H,1H3
InChIKeyQJXXNIIJWQOMEN-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.16
Rot. Bonds1

About 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene

1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene (PubChem CID 165383709) has the molecular formula C11H6F8O and a molecular weight of 306.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
PubChem CID165383709
Molecular FormulaC11H6F8O
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
SMILESCOc1ccc2c(c1)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11H6F8O/c1-20-5-2-3-6-7(4-5)9(14,15)11(18,19)10(16,17)8(6,12)13/h2-4H,1H3
InChIKeyQJXXNIIJWQOMEN-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 71528122
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118319966
3-fluoro-3-(2-fluoro-4-methoxyphenyl)azetidine
CID 103397020
4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine
CID 83231351
5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002171
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
CID 155930667
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-(2-chloroanilino)-6-methoxy-2,3-dihydroindene-1-carbonitrile
CID 79370255
4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine
CID 83854976

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene (CID 165383709) is 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene is COc1ccc2c(c1)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene?
The InChIKey is QJXXNIIJWQOMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F8O/c1-20-5-2-3-6-7(4-5)9(14,15)11(18,19)10(16,17)8(6,12)13/h2-4H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene?
1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene has a molecular weight of 306.15 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene is sourced from PubChem (CID 165383709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).