6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol

C9H10F4O — CID 150784799

IUPAC6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1(F)C(CC(F)(F)F)=CC=CC1O
InChIInChI=1S/C9H10F4O/c1-8(10)6(5-9(11,12)13)3-2-4-7(8)14/h2-4,7,14H,5H2,1H3
InChIKeyZEJJUNVOFKNEJM-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.52
Rot. Bonds1

About 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol

6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 150784799) has the molecular formula C9H10F4O and a molecular weight of 210.17 g/mol. Its IUPAC name is 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol
PubChem CID150784799
Molecular FormulaC9H10F4O
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1(F)C(CC(F)(F)F)=CC=CC1O
InChIInChI=1S/C9H10F4O/c1-8(10)6(5-9(11,12)13)3-2-4-7(8)14/h2-4,7,14H,5H2,1H3
InChIKeyZEJJUNVOFKNEJM-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
5-Ethylcyclohexa-2,4-dien-1-ol
CID 70250484
2-Propan-2-ylcyclohexa-2,4-dien-1-ol
CID 123660700
[2,3,5,6-Tetrafluoro-5-(2-fluoroprop-2-enyl)cyclohexa-1,3-dien-1-yl]methanol
CID 67825110
8,8-difluoro-4-methyl-2,3,4,7-tetrahydro-1H-naphthalen-1-ol
CID 69866642
(1S)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
CID 87087316
(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
CID 87087339
2,2,2-Trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 89189494
2,6-Bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 89299198
(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol
CID 89324892
2-[(2R)-butan-2-yl]-4-fluoro-3-methylcyclohexa-2,4-dien-1-ol
CID 89864981
1,2,4,5-Tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol
CID 91396506

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol (CID 150784799) is 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol is CC1(F)C(CC(F)(F)F)=CC=CC1O.
What is the InChIKey of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is ZEJJUNVOFKNEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O/c1-8(10)6(5-9(11,12)13)3-2-4-7(8)14/h2-4,7,14H,5H2,1H3.
What are the key properties of 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol?
6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 210.17 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150784799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).