cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate

C15H17F3O2 — CID 52537150

IUPACcyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)OC1CCCCC1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)12-8-6-11(7-9-12)10-14(19)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyJATYRSYOJIYPRO-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.12
Rot. Bonds3

About cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate

cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 52537150) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID52537150
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Namecyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)OC1CCCCC1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)12-8-6-11(7-9-12)10-14(19)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyJATYRSYOJIYPRO-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
cyclopropyl 2-phenylacetate
CID 135066962
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
cyclohexyl 2-(1,2-oxazol-5-yl)acetate
CID 159710409
cyclohexyl 2-[(R)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetate
CID 40739651
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55486099

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate (CID 52537150) is cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate is O=C(Cc1ccc(C(F)(F)F)cc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is JATYRSYOJIYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)12-8-6-11(7-9-12)10-14(19)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate?
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 286.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 52537150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).