5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol

C9H8F6O3 — CID 147280085

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)C(C(O)(C(F)(F)F)C(F)(F)F)=C1
InChIInChI=1S/C9H8F6O3/c10-8(11,12)7(18,9(13,14)15)5-3-4(16)1-2-6(5)17/h1,3,6,16-18H,2H2
InChIKeyCSDDRZXLLXIRHX-UHFFFAOYSA-N
MW278.15 g/mol
LogP1.98
Rot. Bonds1

About 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol (PubChem CID 147280085) has the molecular formula C9H8F6O3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol
PubChem CID147280085
Molecular FormulaC9H8F6O3
Molecular Weight278.15 g/mol
Exact Mass278.04
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)C(C(O)(C(F)(F)F)C(F)(F)F)=C1
InChIInChI=1S/C9H8F6O3/c10-8(11,12)7(18,9(13,14)15)5-3-4(16)1-2-6(5)17/h1,3,6,16-18H,2H2
InChIKeyCSDDRZXLLXIRHX-UHFFFAOYSA-N
XLogP1.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol with MolForge

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Related Compounds

5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 36951
1,2,4,5-Tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol
CID 91396506
2-(Difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 118281593
5-Methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 118396525
2-[5-Ethenyl-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,3-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 138722722
2-(1-Hydroxyethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 144054691
5-Propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 163602906
3,5-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 163794301
6-Fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol
CID 150784799
1-(1,1,2,2,3,3-Hexafluoropropyl)cyclohexa-3,5-diene-1,2-diol
CID 151520727
(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
CID 165415765
CID 145782089
CID 145782089

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol (CID 147280085) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol is OC1=CCC(O)C(C(O)(C(F)(F)F)C(F)(F)F)=C1.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol?
The InChIKey is CSDDRZXLLXIRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O3/c10-8(11,12)7(18,9(13,14)15)5-3-4(16)1-2-6(5)17/h1,3,6,16-18H,2H2.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol?
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol has a molecular weight of 278.15 g/mol, XLogP of 1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 147280085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).