1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane

C11H15F3O — CID 101056705

IUPAC1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane
SMILESC=CCOC1(C(F)=C(F)F)CCCCC1
InChIInChI=1S/C11H15F3O/c1-2-8-15-11(9(12)10(13)14)6-4-3-5-7-11/h2H,1,3-8H2
InChIKeyLWTDZBUVQQKKRZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.97
Rot. Bonds4

About 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane

1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 101056705) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID101056705
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane
SMILESC=CCOC1(C(F)=C(F)F)CCCCC1
InChIInChI=1S/C11H15F3O/c1-2-8-15-11(9(12)10(13)14)6-4-3-5-7-11/h2H,1,3-8H2
InChIKeyLWTDZBUVQQKKRZ-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Prop-2-enoxy-1-prop-2-enylcyclohexane
CID 11321310
1-Ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
CID 122552776
1-(3,3-Difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
CID 140517607
1-Ethenyl-1-prop-2-enoxycyclohexane
CID 12997286
3,3-Difluoro-7-oxaspiro[5.6]dodec-9-ene
CID 125452237
1-Ethenyl-1-ethoxycyclohexane
CID 70349803
1-Ethenyl-1-ethoxycyclohexane;methane
CID 164072960

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane (CID 101056705) is 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane is C=CCOC1(C(F)=C(F)F)CCCCC1.
What is the InChIKey of 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is LWTDZBUVQQKKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-2-8-15-11(9(12)10(13)14)6-4-3-5-7-11/h2H,1,3-8H2.
What are the key properties of 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane?
1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 220.23 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 101056705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).