1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate

C15H13F3O3 — CID 174586618

IUPAC1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
SMILESCC(=O)OC(C)c1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H13F3O3/c1-9(20-10(2)19)13-7-8-14(21-13)11-3-5-12(6-4-11)15(16,17)18/h3-9H,1-2H3
InChIKeyGSHWPLDGIICTEX-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.59
Rot. Bonds3

About 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate

1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate (PubChem CID 174586618) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
PubChem CID174586618
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
SMILESCC(=O)OC(C)c1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H13F3O3/c1-9(20-10(2)19)13-7-8-14(21-13)11-3-5-12(6-4-11)15(16,17)18/h3-9H,1-2H3
InChIKeyGSHWPLDGIICTEX-UHFFFAOYSA-N
XLogP4.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] acetate
CID 102127069
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
1-[4-(trifluoromethyl)phenoxy]propan-2-yl acetate
CID 67250236
1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl acetate
CID 87975646
(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
CID 119301822
3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 154324455
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
[(2S,3R)-3-acetyloxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl] acetate
CID 46854298

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate?
The IUPAC name of 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate (CID 174586618) is 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate.
What is the SMILES notation for 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate?
The canonical SMILES for 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate is CC(=O)OC(C)c1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate?
The InChIKey is GSHWPLDGIICTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c1-9(20-10(2)19)13-7-8-14(21-13)11-3-5-12(6-4-11)15(16,17)18/h3-9H,1-2H3.
What are the key properties of 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate?
1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate has a molecular weight of 298.26 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate is sourced from PubChem (CID 174586618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).