2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate

C15H10F3O2S- — CID 6947877

IUPAC2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate
SMILESO=C([O-])Cc1ccccc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(19)20/h1-7,9H,8H2,(H,19,20)/p-1
InChIKeyOAHIVACTUGYMGU-UHFFFAOYSA-M
MW311.30 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate

2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate (PubChem CID 6947877) has the molecular formula C15H10F3O2S- and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate
PubChem CID6947877
Molecular FormulaC15H10F3O2S-
Molecular Weight311.30 g/mol
Exact Mass311.04
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate
SMILESO=C([O-])Cc1ccccc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2S/c16-15(17,18)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(19)20/h1-7,9H,8H2,(H,19,20)/p-1
InChIKeyOAHIVACTUGYMGU-UHFFFAOYSA-M
XLogP3.15
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-[[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methyl]butane-1,4-diamine
CID 59066637
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 2817407
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide
CID 63580292
methyl 4-[3-(trifluoromethyl)phenyl]sulfanylbenzoate
CID 138972698
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene
CID 54043851
methyl 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetate
CID 15125730
S-(7-oxocyclohepta-1,3,5-trien-1-yl) 3-(trifluoromethyl)benzenecarbothioate
CID 142475492

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate (CID 6947877) is 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate is O=C([O-])Cc1ccccc1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate?
The InChIKey is OAHIVACTUGYMGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11F3O2S/c16-15(17,18)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(19)20/h1-7,9H,8H2,(H,19,20)/p-1.
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate?
2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate has a molecular weight of 311.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate is sourced from PubChem (CID 6947877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).