2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol

C8H2F8O — CID 87325926

IUPAC2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)=C(F)F)C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C8H2F8O/c9-1-2(10)4(12)8(17,5(13)3(1)11)6(14)7(15)16/h4,17H
InChIKeyQFOOPBULVLYNBV-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.45
Rot. Bonds1

About 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol

2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 87325926) has the molecular formula C8H2F8O and a molecular weight of 266.09 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol
PubChem CID87325926
Molecular FormulaC8H2F8O
Molecular Weight266.09 g/mol
Exact Mass266.00
IUPAC Name2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)=C(F)F)C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C8H2F8O/c9-1-2(10)4(12)8(17,5(13)3(1)11)6(14)7(15)16/h4,17H
InChIKeyQFOOPBULVLYNBV-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
1,2,3,4,5-pentafluoro-5-(1,2,2-trifluoroethenyl)cyclopenta-1,3-diene
CID 171853780
bis[2,3,4,5,6-pentafluoro-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
CID 141331157
(2,3,4,5,6-pentafluoro-1-methylcyclohexa-2,4-dien-1-yl)-bis(2,3,4,5,6-pentafluorophenoxy)borane
CID 141371951
1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine
CID 172756898
[(1R,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl] hydrogen carbonate
CID 7567839
4-chloro-2,3,5,6-tetrafluoro-4-fluorooxycyclohexa-1,5-diene-1-sulfonic acid
CID 174432799
2,3,4,5,6-pentafluoro-4-(1,2,3,5,6-pentafluoro-4-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,5-dien-1-ol
CID 175402832
(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
CID 70672909
tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
CID 174225846
N-carbamoylbenzamide;1,2,3,4,5,6-hexafluoro-5-propan-2-ylcyclohexa-1,3-diene
CID 174658952
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol (CID 87325926) is 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol is OC1(C(F)=C(F)F)C(F)=C(F)C(F)=C(F)C1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is QFOOPBULVLYNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F8O/c9-1-2(10)4(12)8(17,5(13)3(1)11)6(14)7(15)16/h4,17H.
What are the key properties of 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol?
2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 266.09 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-1-(1,2,2-trifluoroethenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 87325926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).