1,8-bis(trifluoromethoxy)naphthalene

C12H6F6O2 — CID 118813409

IUPAC1,8-bis(trifluoromethoxy)naphthalene
SMILESFC(F)(F)Oc1cccc2cccc(OC(F)(F)F)c12
InChIInChI=1S/C12H6F6O2/c13-11(14,15)19-8-5-1-3-7-4-2-6-9(10(7)8)20-12(16,17)18/h1-6H
InChIKeyFBTJLAFRPQVHAW-UHFFFAOYSA-N
MW296.17 g/mol
LogP4.64
Rot. Bonds2

About 1,8-bis(trifluoromethoxy)naphthalene

1,8-bis(trifluoromethoxy)naphthalene (PubChem CID 118813409) has the molecular formula C12H6F6O2 and a molecular weight of 296.17 g/mol. Its IUPAC name is 1,8-bis(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name1,8-bis(trifluoromethoxy)naphthalene
PubChem CID118813409
Molecular FormulaC12H6F6O2
Molecular Weight296.17 g/mol
Exact Mass296.03
IUPAC Name1,8-bis(trifluoromethoxy)naphthalene
SMILESFC(F)(F)Oc1cccc2cccc(OC(F)(F)F)c12
InChIInChI=1S/C12H6F6O2/c13-11(14,15)19-8-5-1-3-7-4-2-6-9(10(7)8)20-12(16,17)18/h1-6H
InChIKeyFBTJLAFRPQVHAW-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-8-(trifluoromethoxy)naphthalene
CID 156747835
2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
CID 118819095
6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene
CID 118842934
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-(trifluoromethoxy)benzenethiolate
CID 6933712
5-(trifluoromethoxy)naphthalene-2-carbaldehyde
CID 118841494
2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
CID 87191314
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(trifluoromethoxy)naphthalene?
The IUPAC name of 1,8-bis(trifluoromethoxy)naphthalene (CID 118813409) is 1,8-bis(trifluoromethoxy)naphthalene.
What is the SMILES notation for 1,8-bis(trifluoromethoxy)naphthalene?
The canonical SMILES for 1,8-bis(trifluoromethoxy)naphthalene is FC(F)(F)Oc1cccc2cccc(OC(F)(F)F)c12.
What is the InChIKey of 1,8-bis(trifluoromethoxy)naphthalene?
The InChIKey is FBTJLAFRPQVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6O2/c13-11(14,15)19-8-5-1-3-7-4-2-6-9(10(7)8)20-12(16,17)18/h1-6H.
What are the key properties of 1,8-bis(trifluoromethoxy)naphthalene?
1,8-bis(trifluoromethoxy)naphthalene has a molecular weight of 296.17 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(trifluoromethoxy)naphthalene is sourced from PubChem (CID 118813409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).