2,3-bis(trifluoromethyl)naphthalene

C12H6F6 — CID 786705

IUPAC2,3-bis(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc2ccccc2cc1C(F)(F)F
InChIInChI=1S/C12H6F6/c13-11(14,15)9-5-7-3-1-2-4-8(7)6-10(9)12(16,17)18/h1-6H
InChIKeyAQVPYKGOVNEYDY-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.88
Rot. Bonds

About 2,3-bis(trifluoromethyl)naphthalene

2,3-bis(trifluoromethyl)naphthalene (PubChem CID 786705) has the molecular formula C12H6F6 and a molecular weight of 264.17 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)naphthalene
PubChem CID786705
Molecular FormulaC12H6F6
Molecular Weight264.17 g/mol
Exact Mass264.04
IUPAC Name2,3-bis(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc2ccccc2cc1C(F)(F)F
InChIInChI=1S/C12H6F6/c13-11(14,15)9-5-7-3-1-2-4-8(7)6-10(9)12(16,17)18/h1-6H
InChIKeyAQVPYKGOVNEYDY-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
1-Methylnaphthalene
CID 7002
Acenaphthylene
CID 9161
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
9,10-Dimethylanthracene
CID 13076
1,4-Dimethylnaphthalene
CID 11304
1,2-Dimethylnaphthalene
CID 11317
2,6-Diisopropylnaphthalene
CID 32241
1-Methylphenanthrene
CID 13257

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)naphthalene?
The IUPAC name of 2,3-bis(trifluoromethyl)naphthalene (CID 786705) is 2,3-bis(trifluoromethyl)naphthalene.
What is the SMILES notation for 2,3-bis(trifluoromethyl)naphthalene?
The canonical SMILES for 2,3-bis(trifluoromethyl)naphthalene is FC(F)(F)c1cc2ccccc2cc1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)naphthalene?
The InChIKey is AQVPYKGOVNEYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6/c13-11(14,15)9-5-7-3-1-2-4-8(7)6-10(9)12(16,17)18/h1-6H.
What are the key properties of 2,3-bis(trifluoromethyl)naphthalene?
2,3-bis(trifluoromethyl)naphthalene has a molecular weight of 264.17 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)naphthalene is sourced from PubChem (CID 786705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).