[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane

C12H19F3O — CID 15651906

IUPAC[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane
SMILESCCO/C(=C\CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-2-16-11(12(13,14)15)9-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3/b11-9-
InChIKeyQEKNKLHOLDRWFT-LUAWRHEFSA-N
MW236.28 g/mol
LogP4.44
Rot. Bonds4

About [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane

[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane (PubChem CID 15651906) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane
PubChem CID15651906
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane
SMILESCCO/C(=C\CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-2-16-11(12(13,14)15)9-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3/b11-9-
InChIKeyQEKNKLHOLDRWFT-LUAWRHEFSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
CID 15651911
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15651909
4-[4-(Methoxymethylidene)cyclohexyl]-1-(trifluoromethyl)cyclohexene
CID 89927538
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 121222363
(2-Ethoxy-3,3,3-trifluoroprop-1-enyl)cyclohexane
CID 131881692

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane?
The IUPAC name of [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane (CID 15651906) is [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane.
What is the SMILES notation for [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane?
The canonical SMILES for [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane is CCO/C(=C\CC1CCCCC1)C(F)(F)F.
What is the InChIKey of [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane?
The InChIKey is QEKNKLHOLDRWFT-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H19F3O/c1-2-16-11(12(13,14)15)9-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3/b11-9-.
What are the key properties of [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane?
[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane has a molecular weight of 236.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane is sourced from PubChem (CID 15651906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).