(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

C20H26F8O — CID 23591077

IUPAC(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(C/C=C/C1CCC(C2CCCCC2)CC1)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C20H26F8O/c21-16(17(22)23)19(24,25)18(29,20(26,27)28)12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h4-5,13-15,29H,1-3,6-12H2/b5-4+
InChIKeyNQVFNHWVSLIACA-SNAWJCMRSA-N
MW434.41 g/mol
LogP7.33
Rot. Bonds6

About (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591077) has the molecular formula C20H26F8O and a molecular weight of 434.41 g/mol. Its IUPAC name is (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591077
Molecular FormulaC20H26F8O
Molecular Weight434.41 g/mol
Exact Mass434.19
IUPAC Name(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(C/C=C/C1CCC(C2CCCCC2)CC1)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C20H26F8O/c21-16(17(22)23)19(24,25)18(29,20(26,27)28)12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h4-5,13-15,29H,1-3,6-12H2/b5-4+
InChIKeyNQVFNHWVSLIACA-SNAWJCMRSA-N
XLogP7.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591077) is (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is OC(C/C=C/C1CCC(C2CCCCC2)CC1)(C(F)(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is NQVFNHWVSLIACA-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H26F8O/c21-16(17(22)23)19(24,25)18(29,20(26,27)28)12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h4-5,13-15,29H,1-3,6-12H2/b5-4+.
What are the key properties of (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 434.41 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).