1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C16H19F3O2 — CID 103206467

IUPAC1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H19F3O2/c17-16(18,19)11-21-10-15(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2
InChIKeyIJUDSGDPOFQZAU-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206467) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206467
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H19F3O2/c17-16(18,19)11-21-10-15(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2
InChIKeyIJUDSGDPOFQZAU-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206467) is 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is IJUDSGDPOFQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c17-16(18,19)11-21-10-15(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2.
What are the key properties of 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 300.32 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).