2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C18H15F3OS2 — CID 58568106

IUPAC2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccsc1-c1cccs1
InChIInChI=1S/C18H15F3OS2/c1-17(22,11-12-4-2-5-13(10-12)18(19,20)21)14-7-9-24-16(14)15-6-3-8-23-15/h2-10,22H,11H2,1H3
InChIKeyBAOJBIFXUFVYMK-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.95
Rot. Bonds4

About 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 58568106) has the molecular formula C18H15F3OS2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID58568106
Molecular FormulaC18H15F3OS2
Molecular Weight368.45 g/mol
Exact Mass368.05
IUPAC Name2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccsc1-c1cccs1
InChIInChI=1S/C18H15F3OS2/c1-17(22,11-12-4-2-5-13(10-12)18(19,20)21)14-7-9-24-16(14)15-6-3-8-23-15/h2-10,22H,11H2,1H3
InChIKeyBAOJBIFXUFVYMK-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345
2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145336
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 66037251

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 58568106) is 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(Cc1cccc(C(F)(F)F)c1)c1ccsc1-c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is BAOJBIFXUFVYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3OS2/c1-17(22,11-12-4-2-5-13(10-12)18(19,20)21)14-7-9-24-16(14)15-6-3-8-23-15/h2-10,22H,11H2,1H3.
What are the key properties of 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 368.45 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 58568106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).