1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol

C14H13F3OS — CID 115788878

IUPAC1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1
InChIInChI=1S/C14H13F3OS/c15-14(16,17)12-3-1-10(2-4-12)7-13(18)8-11-5-6-19-9-11/h1-6,9,13,18H,7-8H2
InChIKeyKFRVKDGOSDOMMZ-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.91
Rot. Bonds4

About 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol

1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 115788878) has the molecular formula C14H13F3OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID115788878
Molecular FormulaC14H13F3OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1
InChIInChI=1S/C14H13F3OS/c15-14(16,17)12-3-1-10(2-4-12)7-13(18)8-11-5-6-19-9-11/h1-6,9,13,18H,7-8H2
InChIKeyKFRVKDGOSDOMMZ-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114391
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
(2S)-3-(4-thiophen-3-ylphenyl)-2-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58717876
(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
CID 94413392

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 115788878) is 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol is OC(Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is KFRVKDGOSDOMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3OS/c15-14(16,17)12-3-1-10(2-4-12)7-13(18)8-11-5-6-19-9-11/h1-6,9,13,18H,7-8H2.
What are the key properties of 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 286.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 115788878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).