(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

C14H18F6O — CID 23591080

IUPAC(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(C/C=C/C1CCCCC1)(CC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C14H18F6O/c15-11(12(16)17)9-13(21,14(18,19)20)8-4-7-10-5-2-1-3-6-10/h4,7,10,21H,1-3,5-6,8-9H2/b7-4+
InChIKeyVDYRQUDWXPZVMF-QPJJXVBHSA-N
MW316.29 g/mol
LogP5.27
Rot. Bonds5

About (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591080) has the molecular formula C14H18F6O and a molecular weight of 316.29 g/mol. Its IUPAC name is (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591080
Molecular FormulaC14H18F6O
Molecular Weight316.29 g/mol
Exact Mass316.13
IUPAC Name(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(C/C=C/C1CCCCC1)(CC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C14H18F6O/c15-11(12(16)17)9-13(21,14(18,19)20)8-4-7-10-5-2-1-3-6-10/h4,7,10,21H,1-3,5-6,8-9H2/b7-4+
InChIKeyVDYRQUDWXPZVMF-QPJJXVBHSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.29
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol with MolForge

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Related Compounds

4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591068
[(E)-but-1-enyl]cyclodecane
CID 173272598
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 138550952
3-cyclobutylprop-2-en-1-ol
CID 54225571
3-cyclopentylprop-2-en-1-amine
CID 54310760
2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
CID 115027287
non-1-enylcyclopentane
CID 86065492
4-chlorobut-1-enylcyclohexane
CID 72770329

Frequently Asked Questions

What is the IUPAC name of (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591080) is (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is OC(C/C=C/C1CCCCC1)(CC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is VDYRQUDWXPZVMF-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H18F6O/c15-11(12(16)17)9-13(21,14(18,19)20)8-4-7-10-5-2-1-3-6-10/h4,7,10,21H,1-3,5-6,8-9H2/b7-4+.
What are the key properties of (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 316.29 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).