2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C12H14F6O — CID 163507779

IUPAC2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=CC1C=CC(C(O)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C12H14F6O/c1-3-8-4-5-9(6-7(8)2)10(19,11(13,14)15)12(16,17)18/h3-5,7-9,19H,1,6H2,2H3
InChIKeyCZZXMJKLLIXJBL-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.86
Rot. Bonds2

About 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 163507779) has the molecular formula C12H14F6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID163507779
Molecular FormulaC12H14F6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=CC1C=CC(C(O)(C(F)(F)F)C(F)(F)F)CC1C
InChIInChI=1S/C12H14F6O/c1-3-8-4-5-9(6-7(8)2)10(19,11(13,14)15)12(16,17)18/h3-5,7-9,19H,1,6H2,2H3
InChIKeyCZZXMJKLLIXJBL-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(4-Methylcyclohex-2-en-1-yl)propan-2-ol
CID 15593948
2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
CID 134957805
2-Cyclohex-2-en-1-ylpropan-2-ol
CID 12414389
2-Cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062415
2-Cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol
CID 58705065
1,1,1-Trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
CID 58894685
1,1,1-Trifluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
CID 58894688
1,1,1,3,3,3-Hexafluoro-2-[(2-methylcyclohex-3-en-1-yl)methyl]propan-2-ol;tungsten;yttrium
CID 60099191
3-Cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol
CID 67968240
2-Cyclohex-3-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 67968242
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(fluoromethyl)butan-2-ol
CID 68274125

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 163507779) is 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is C=CC1C=CC(C(O)(C(F)(F)F)C(F)(F)F)CC1C.
What is the InChIKey of 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CZZXMJKLLIXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6O/c1-3-8-4-5-9(6-7(8)2)10(19,11(13,14)15)12(16,17)18/h3-5,7-9,19H,1,6H2,2H3.
What are the key properties of 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 288.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-5-methylcyclohex-2-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 163507779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).