4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol

C17H19F11O — CID 23591067

IUPAC4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESOC(CC(C/C=C/C1CCCCC1)C(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H19F11O/c18-12(13(19)20)15(21,22)11(8-4-7-10-5-2-1-3-6-10)9-14(29,16(23,24)25)17(26,27)28/h4,7,10-11,29H,1-3,5-6,8-9H2/b7-4+
InChIKeyUSHCTSALHUMELY-QPJJXVBHSA-N
MW448.32 g/mol
LogP7.09
Rot. Bonds7

About 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol

4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 23591067) has the molecular formula C17H19F11O and a molecular weight of 448.32 g/mol. Its IUPAC name is 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

Compound Name4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
PubChem CID23591067
Molecular FormulaC17H19F11O
Molecular Weight448.32 g/mol
Exact Mass448.13
IUPAC Name4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
SMILESOC(CC(C/C=C/C1CCCCC1)C(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H19F11O/c18-12(13(19)20)15(21,22)11(8-4-7-10-5-2-1-3-6-10)9-14(29,16(23,24)25)17(26,27)28/h4,7,10-11,29H,1-3,5-6,8-9H2/b7-4+
InChIKeyUSHCTSALHUMELY-QPJJXVBHSA-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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Related Compounds

3-Hydroxy-3-(pentafluoroethyl)cyclohexene
CID 13495699
2-(Cyclopent-3-en-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062417
3-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591053
3-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591054
3-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591055
3-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,6,6-hexafluoro-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591056
4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591065
4-[(E)-3-(4-cyclohexylcyclohexyl)prop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591066
4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591068
(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591079
(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591080
2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58854818

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The IUPAC name of 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol (CID 23591067) is 4-[(E)-3-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-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The canonical SMILES for 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol is OC(CC(C/C=C/C1CCCCC1)C(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
The InChIKey is USHCTSALHUMELY-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H19F11O/c18-12(13(19)20)15(21,22)11(8-4-7-10-5-2-1-3-6-10)9-14(29,16(23,24)25)17(26,27)28/h4,7,10-11,29H,1-3,5-6,8-9H2/b7-4+.
What are the key properties of 4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol?
4-[(E)-3-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-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 23591067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).