2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene

C13H10F6 — CID 89129174

IUPAC2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(C(F)(F)F)C(F)CC(C2=CC=CCC2F)=C1
InChIInChI=1S/C13H10F6/c14-9-4-2-1-3-8(9)7-5-10(15)12(11(16)6-7)13(17,18)19/h1-3,5,9,11H,4,6H2
InChIKeyWFARSQPTVPGZLL-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.66
Rot. Bonds1

About 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene

2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 89129174) has the molecular formula C13H10F6 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID89129174
Molecular FormulaC13H10F6
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Name2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(C(F)(F)F)C(F)CC(C2=CC=CCC2F)=C1
InChIInChI=1S/C13H10F6/c14-9-4-2-1-3-8(9)7-5-10(15)12(11(16)6-7)13(17,18)19/h1-3,5,9,11H,4,6H2
InChIKeyWFARSQPTVPGZLL-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2,2-Trifluoroethyl)-1-cyclohexene
CID 69213320
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-(4,4,4-Trifluorobutyl)cyclopenta-1,3-diene
CID 67541333
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001
2,3-Bis(3,3,3-trifluoropropyl)cyclopentadiene
CID 139104303
Bicyclohexadiene
CID 20385837
6-Methylidene-1-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 22377409
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexene
CID 10847151
3-(Difluoromethylidene)cyclohexene
CID 14226789
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 15769647
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 17936271

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 89129174) is 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene is FC1=C(C(F)(F)F)C(F)CC(C2=CC=CCC2F)=C1.
What is the InChIKey of 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is WFARSQPTVPGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6/c14-9-4-2-1-3-8(9)7-5-10(15)12(11(16)6-7)13(17,18)19/h1-3,5,9,11H,4,6H2.
What are the key properties of 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene?
2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 280.21 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89129174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).