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

C14H18F6O — CID 74067368

IUPAC7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(CC=CC1CCCCC1)(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
InChIKeyVDYRQUDWXPZVMF-UHFFFAOYSA-N
MW316.29 g/mol
LogP5.27
Rot. Bonds5

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

7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 74067368) has the molecular formula C14H18F6O and a molecular weight of 316.29 g/mol. Its IUPAC name is 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID74067368
Molecular FormulaC14H18F6O
Molecular Weight316.29 g/mol
Exact Mass316.13
IUPAC Name7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(CC=CC1CCCCC1)(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
InChIKeyVDYRQUDWXPZVMF-UHFFFAOYSA-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'}

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Related Compounds

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CID 58852593
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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 74067368) is 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is OC(CC=CC1CCCCC1)(CC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is VDYRQUDWXPZVMF-UHFFFAOYSA-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.
What are the key properties of 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
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 7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 74067368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).