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

C14H16F8O — CID 23591079

IUPAC(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(C/C=C/C1CCCCC1)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C14H16F8O/c15-10(11(16)17)13(18,19)12(23,14(20,21)22)8-4-7-9-5-2-1-3-6-9/h4,7,9,23H,1-3,5-6,8H2/b7-4+
InChIKeyUNOPNCJHWNPORN-QPJJXVBHSA-N
MW352.27 g/mol
LogP5.52
Rot. Bonds5

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

(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591079) has the molecular formula C14H16F8O and a molecular weight of 352.27 g/mol. Its IUPAC name is (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591079
Molecular FormulaC14H16F8O
Molecular Weight352.27 g/mol
Exact Mass352.11
IUPAC Name(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESOC(C/C=C/C1CCCCC1)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C14H16F8O/c15-10(11(16)17)13(18,19)12(23,14(20,21)22)8-4-7-9-5-2-1-3-6-9/h4,7,9,23H,1-3,5-6,8H2/b7-4+
InChIKeyUNOPNCJHWNPORN-QPJJXVBHSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.52
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-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591079) is (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is OC(C/C=C/C1CCCCC1)(C(F)(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is UNOPNCJHWNPORN-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H16F8O/c15-10(11(16)17)13(18,19)12(23,14(20,21)22)8-4-7-9-5-2-1-3-6-9/h4,7,9,23H,1-3,5-6,8H2/b7-4+.
What are the key properties of (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 352.27 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).