cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate

C15H17F3O2 — CID 142194176

IUPACcyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
SMILESO=C(OC1CCCCC1)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3O2/c16-15(17,18)13(11-7-3-1-4-8-11)14(19)20-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKeySAFNBOCDJVGYKM-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.21
Rot. Bonds3

About cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate

cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate (PubChem CID 142194176) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate.

Molecular Properties

Compound Namecyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
PubChem CID142194176
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Namecyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
SMILESO=C(OC1CCCCC1)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3O2/c16-15(17,18)13(11-7-3-1-4-8-11)14(19)20-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKeySAFNBOCDJVGYKM-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate
CID 10450451
ethyl 3,3,3-trifluoro-2-phenylpropanoate
CID 10399031
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
cyclohexyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 100941161
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
3,3,3-trifluoro-2-phenylpropanoyl bromide
CID 174737113
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate?
The IUPAC name of cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate (CID 142194176) is cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate.
What is the SMILES notation for cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate?
The canonical SMILES for cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate is O=C(OC1CCCCC1)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate?
The InChIKey is SAFNBOCDJVGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)13(11-7-3-1-4-8-11)14(19)20-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2.
What are the key properties of cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate?
cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate has a molecular weight of 286.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate is sourced from PubChem (CID 142194176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).