[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane

C12H17F6O3P — CID 10861149

IUPAC[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane
SMILESO=P(/C=C\C1CCCCC1)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C12H17F6O3P/c13-11(14,15)8-20-22(19,21-9-12(16,17)18)7-6-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2/b7-6-
InChIKeyNGAQEADGPOCRPB-SREVYHEPSA-N
MW354.23 g/mol
LogP5.43
Rot. Bonds6

About [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane

[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane (PubChem CID 10861149) has the molecular formula C12H17F6O3P and a molecular weight of 354.23 g/mol. Its IUPAC name is [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane
PubChem CID10861149
Molecular FormulaC12H17F6O3P
Molecular Weight354.23 g/mol
Exact Mass354.08
IUPAC Name[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane
SMILESO=P(/C=C\C1CCCCC1)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C12H17F6O3P/c13-11(14,15)8-20-22(19,21-9-12(16,17)18)7-6-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2/b7-6-
InChIKeyNGAQEADGPOCRPB-SREVYHEPSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.23
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 68926876
1-Cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 68926877
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]cyclohexane
CID 101841951
[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]cyclohexane
CID 122370470
2-Cyclohexylethenyl-ethoxy-oxophosphanium
CID 66796817
Butoxy-(2-cyclohexylethenyl)-oxophosphanium
CID 66796909
2-Diethoxyphosphorylethenylcyclohexane
CID 149918208
[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane
CID 10539261
1-Diethoxyphosphorylprop-2-enylcyclohexane
CID 10825240
[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane
CID 11085208

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane?
The IUPAC name of [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane (CID 10861149) is [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane.
What is the SMILES notation for [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane?
The canonical SMILES for [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane is O=P(/C=C\C1CCCCC1)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane?
The InChIKey is NGAQEADGPOCRPB-SREVYHEPSA-N. The full InChI is InChI=1S/C12H17F6O3P/c13-11(14,15)8-20-22(19,21-9-12(16,17)18)7-6-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2/b7-6-.
What are the key properties of [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane?
[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane has a molecular weight of 354.23 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane is sourced from PubChem (CID 10861149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).