4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol

C17H19F11O — CID 23591061

IUPAC4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=C(CC(CC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CCCCC1
InChIInChI=1S/C17H19F11O/c1-9(10-5-3-2-4-6-10)7-11(15(21,22)12(18)13(19)20)8-14(29,16(23,24)25)17(26,27)28/h10-11,29H,1-8H2
InChIKeyDCPQPAIVSYZYFB-UHFFFAOYSA-N
MW448.32 g/mol
LogP7.09
Rot. Bonds7

About 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol

4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 23591061) has the molecular formula C17H19F11O and a molecular weight of 448.32 g/mol. Its IUPAC name is 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

Compound Name4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
PubChem CID23591061
Molecular FormulaC17H19F11O
Molecular Weight448.32 g/mol
Exact Mass448.13
IUPAC Name4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=C(CC(CC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CCCCC1
InChIInChI=1S/C17H19F11O/c1-9(10-5-3-2-4-6-10)7-11(15(21,22)12(18)13(19)20)8-14(29,16(23,24)25)17(26,27)28/h10-11,29H,1-8H2
InChIKeyDCPQPAIVSYZYFB-UHFFFAOYSA-N
XLogP7.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 57.09
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 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The IUPAC name of 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol (CID 23591061) is 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol.
What is the SMILES notation for 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The canonical SMILES for 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol is C=C(CC(CC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CCCCC1.
What is the InChIKey of 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The InChIKey is DCPQPAIVSYZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F11O/c1-9(10-5-3-2-4-6-10)7-11(15(21,22)12(18)13(19)20)8-14(29,16(23,24)25)17(26,27)28/h10-11,29H,1-8H2.
What are the key properties of 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol has a molecular weight of 448.32 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylprop-2-enyl)-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 23591061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).