2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol

C17H13F5O2 — CID 142784988

IUPAC2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol
SMILESOCCC1(c2ccc(F)cc2F)OC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F5O2/c18-10-5-6-13(14(19)9-10)16(7-8-23)15(24-16)11-3-1-2-4-12(11)17(20,21)22/h1-6,9,15,23H,7-8H2
InChIKeyARJSWSWKEKUWOJ-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol

2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol (PubChem CID 142784988) has the molecular formula C17H13F5O2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol
PubChem CID142784988
Molecular FormulaC17H13F5O2
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol
SMILESOCCC1(c2ccc(F)cc2F)OC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F5O2/c18-10-5-6-13(14(19)9-10)16(7-8-23)15(24-16)11-3-1-2-4-12(11)17(20,21)22/h1-6,9,15,23H,7-8H2
InChIKeyARJSWSWKEKUWOJ-UHFFFAOYSA-N
XLogP4.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S)-2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 54488264
[(2R,3S)-2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 87554726
[(2S,3S)-2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 54036282
[2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 14535841
1-[[(2S,3R)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-5-methylsulfanyl-1,2,4-triazole
CID 86648922
3-[[(2S,3S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-2H-triazole-4-thione
CID 134537885
[5-[[(2R,3S)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1H-1,2,4-triazol-3-yl] thiocyanate
CID 90189962
[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol
CID 88506424
5-(2-chlorophenyl)-2-[[(2S,3R)-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione
CID 87323955
[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
CID 118526363
1-[[3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-5-pentylsulfanyl-1,2,4-triazole
CID 53241604
5-(chloromethyl)-6-fluoro-3-[2-(trifluoromethyl)phenyl]-3H-2-benzofuran-1-one
CID 118526445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol (CID 142784988) is 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol is OCCC1(c2ccc(F)cc2F)OC1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol?
The InChIKey is ARJSWSWKEKUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5O2/c18-10-5-6-13(14(19)9-10)16(7-8-23)15(24-16)11-3-1-2-4-12(11)17(20,21)22/h1-6,9,15,23H,7-8H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol?
2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol has a molecular weight of 344.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol is sourced from PubChem (CID 142784988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).