3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol

C16H17F11O — CID 74067355

IUPAC3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
SMILESOC(C(CC=CC1CCCCC1)C(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H17F11O/c17-11(12(18)19)13(20,21)10(8-4-7-9-5-2-1-3-6-9)14(28,15(22,23)24)16(25,26)27/h4,7,9-10,28H,1-3,5-6,8H2
InChIKeyNTCSTJSACNIZSW-UHFFFAOYSA-N
MW434.29 g/mol
LogP6.70
Rot. Bonds6

About 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol

3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol (PubChem CID 74067355) has the molecular formula C16H17F11O and a molecular weight of 434.29 g/mol. Its IUPAC name is 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol.

Molecular Properties

Compound Name3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
PubChem CID74067355
Molecular FormulaC16H17F11O
Molecular Weight434.29 g/mol
Exact Mass434.11
IUPAC Name3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol
SMILESOC(C(CC=CC1CCCCC1)C(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H17F11O/c17-11(12(18)19)13(20,21)10(8-4-7-9-5-2-1-3-6-9)14(28,15(22,23)24)16(25,26)27/h4,7,9-10,28H,1-3,5-6,8H2
InChIKeyNTCSTJSACNIZSW-UHFFFAOYSA-N
XLogP6.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol with MolForge

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Related Compounds

2-Cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062416
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]-1,1,1,5,5,6,7,7-octafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591067
4-[(E)-3-cyclohexylprop-2-enyl]-1,1,1,6,7,7-hexafluoro-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591068
(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591077
(6E)-7-(4-cyclohexylcyclohexyl)-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591078
(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591079

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
The IUPAC name of 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol (CID 74067355) is 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol.
What is the SMILES notation for 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
The canonical SMILES for 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol is OC(C(CC=CC1CCCCC1)C(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
The InChIKey is NTCSTJSACNIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F11O/c17-11(12(18)19)13(20,21)10(8-4-7-9-5-2-1-3-6-9)14(28,15(22,23)24)16(25,26)27/h4,7,9-10,28H,1-3,5-6,8H2.
What are the key properties of 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol?
3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol has a molecular weight of 434.29 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylprop-2-enyl)-1,1,1,4,4,5,6,6-octafluoro-2-(trifluoromethyl)hex-5-en-2-ol is sourced from PubChem (CID 74067355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).