1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H13F3O2 — CID 103206645

IUPAC1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C10H13F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyHGRWOEADUCKHCV-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.63
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206645) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206645
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C10H13F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyHGRWOEADUCKHCV-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-5-trifluoromethyl-6-(9'-fluorodecyl)-1,4-benzoquinone
CID 53839832
(Cyclohex-1-en-1-yl)(3,4-dihydro-2H-pyran-6-yl)methanone
CID 16115537
2-[8-(2,2,2-Trifluoroethoxy)octyl]cyclohexa-2,5-diene-1,4-dione
CID 172695538
Methanone, 1-cyclopenten-1-yl(3,4-dihydro-2H-pyran-6-yl)-
CID 11367327
[2-(Cyclohexen-1-yl)-2-oxoethyl] acetate
CID 12431603
1-(1-Cyclohexenyl)-2-ethoxyprop-2-en-1-one
CID 24975460
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneoctan-1-one
CID 25223925
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
2-Ethoxy-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one
CID 134895281
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneundecan-1-one
CID 135078290
3-Decyl-5-methoxy-2-(trifluoromethyl)cyclohexa-2,5-diene-1,4-dione
CID 54316790
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-one
CID 65171639

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206645) is 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is HGRWOEADUCKHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h4H,1-3,5-7H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 222.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).