3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol

C14H9F3OS — CID 18175399

IUPAC3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
SMILESOC(C#Cc1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F3OS/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h1-6,9,13,18H
InChIKeyACAZCEILABOPCP-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.85
Rot. Bonds1

About 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol

3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol (PubChem CID 18175399) has the molecular formula C14H9F3OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
PubChem CID18175399
Molecular FormulaC14H9F3OS
Molecular Weight282.29 g/mol
Exact Mass282.03
IUPAC Name3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
SMILESOC(C#Cc1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F3OS/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h1-6,9,13,18H
InChIKeyACAZCEILABOPCP-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol (CID 18175399) is 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol is OC(C#Cc1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is ACAZCEILABOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3OS/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h1-6,9,13,18H.
What are the key properties of 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 282.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 18175399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).