[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane

C11H16BrF3O — CID 15398557

IUPAC[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCO/C(=C(\Br)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H16BrF3O/c1-2-16-10(11(13,14)15)9(12)8-6-4-3-5-7-8/h8H,2-7H2,1H3/b10-9-
InChIKeyYYJAYZQJALXPBV-KTKRTIGZSA-N
MW301.15 g/mol
LogP4.77
Rot. Bonds3

About [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane

[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 15398557) has the molecular formula C11H16BrF3O and a molecular weight of 301.15 g/mol. Its IUPAC name is [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID15398557
Molecular FormulaC11H16BrF3O
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC Name[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCO/C(=C(\Br)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H16BrF3O/c1-2-16-10(11(13,14)15)9(12)8-6-4-3-5-7-8/h8H,2-7H2,1H3/b10-9-
InChIKeyYYJAYZQJALXPBV-KTKRTIGZSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.77
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-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15651909
(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene
CID 10979588
[(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)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 15398557) is [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane is CCO/C(=C(\Br)C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is YYJAYZQJALXPBV-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H16BrF3O/c1-2-16-10(11(13,14)15)9(12)8-6-4-3-5-7-8/h8H,2-7H2,1H3/b10-9-.
What are the key properties of [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane has a molecular weight of 301.15 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 15398557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).