2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H24F6O — CID 88911742

IUPAC2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)=CC(=C(C)C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H24F6O/c1-10(2)9-14(11(3)4)12-5-7-13(8-6-12)15(24,16(18,19)20)17(21,22)23/h9,12-13,24H,5-8H2,1-4H3
InChIKeyCPKUXDCCYUAFNK-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.95
Rot. Bonds3

About 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 88911742) has the molecular formula C17H24F6O and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID88911742
Molecular FormulaC17H24F6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)=CC(=C(C)C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H24F6O/c1-10(2)9-14(11(3)4)12-5-7-13(8-6-12)15(24,16(18,19)20)17(21,22)23/h9,12-13,24H,5-8H2,1-4H3
InChIKeyCPKUXDCCYUAFNK-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
CID 134957805
3-[2-(4-Cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591047
3-[2-(4-Cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591048
3-(2-Cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591049
3-(2-Cyclohexylprop-2-enyl)-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591050
1,1,1-Trifluoro-2-[4-(5-methylhexan-3-yl)cyclohexen-1-yl]but-3-en-2-ol
CID 68384493
1-[4-[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]cyclohexyl]butan-1-ol
CID 88953382
1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol
CID 89062357
2-[[3-[(Z)-but-2-enyl]-4-methylcyclohexyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89159921
2-[[(3E)-3-ethylidene-5-methyl-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89165165
3,5-Difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
CID 90411193
1-[4-(2,2-Difluoroethyl)cyclohexyl]prop-1-en-1-ol
CID 117790418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 88911742) is 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)=CC(=C(C)C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CPKUXDCCYUAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6O/c1-10(2)9-14(11(3)4)12-5-7-13(8-6-12)15(24,16(18,19)20)17(21,22)23/h9,12-13,24H,5-8H2,1-4H3.
What are the key properties of 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 358.37 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylhexa-2,4-dien-3-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 88911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).