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

C14H18F6O — CID 23591074

IUPAC6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(CC(F)=C(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F6O/c1-9(10-5-3-2-4-6-10)7-13(21,14(18,19)20)8-11(15)12(16)17/h10,21H,1-8H2
InChIKeyYNBDTTXJFABHND-UHFFFAOYSA-N
MW316.29 g/mol
LogP5.27
Rot. Bonds5

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

6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591074) has the molecular formula C14H18F6O and a molecular weight of 316.29 g/mol. Its IUPAC name is 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591074
Molecular FormulaC14H18F6O
Molecular Weight316.29 g/mol
Exact Mass316.13
IUPAC Name6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(CC(F)=C(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F6O/c1-9(10-5-3-2-4-6-10)7-13(21,14(18,19)20)8-11(15)12(16)17/h10,21H,1-8H2
InChIKeyYNBDTTXJFABHND-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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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591074) is 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is C=C(CC(O)(CC(F)=C(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is YNBDTTXJFABHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6O/c1-9(10-5-3-2-4-6-10)7-13(21,14(18,19)20)8-11(15)12(16)17/h10,21H,1-8H2.
What are the key properties of 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
6-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 6-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).