1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol

C15H12BrF3O2S — CID 58482091

IUPAC1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol
SMILESO=S(CC(O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3O2S/c16-12-5-1-10(2-6-12)14(20)9-22(21)13-7-3-11(4-8-13)15(17,18)19/h1-8,14,20H,9H2
InChIKeyONUYPXIOPHOROA-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol

1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol (PubChem CID 58482091) has the molecular formula C15H12BrF3O2S and a molecular weight of 393.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol
PubChem CID58482091
Molecular FormulaC15H12BrF3O2S
Molecular Weight393.22 g/mol
Exact Mass391.97
IUPAC Name1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol
SMILESO=S(CC(O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3O2S/c16-12-5-1-10(2-6-12)14(20)9-22(21)13-7-3-11(4-8-13)15(17,18)19/h1-8,14,20H,9H2
InChIKeyONUYPXIOPHOROA-UHFFFAOYSA-N
XLogP4.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol (CID 58482091) is 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol is O=S(CC(O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol?
The InChIKey is ONUYPXIOPHOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2S/c16-12-5-1-10(2-6-12)14(20)9-22(21)13-7-3-11(4-8-13)15(17,18)19/h1-8,14,20H,9H2.
What are the key properties of 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol?
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol has a molecular weight of 393.22 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]sulfinylethanol is sourced from PubChem (CID 58482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).