(2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol

C14H9F3OS — CID 134958876

IUPAC(2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol
SMILESO[C@](C#Cc1ccsc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H9F3OS/c15-14(16,17)13(18,12-4-2-1-3-5-12)8-6-11-7-9-19-10-11/h1-5,7,9-10,18H/t13-/m1/s1
InChIKeyDVRRDOHGXQAHRR-CYBMUJFWSA-N
MW282.29 g/mol
LogP3.55
Rot. Bonds1

About (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol

(2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol (PubChem CID 134958876) has the molecular formula C14H9F3OS and a molecular weight of 282.29 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol
PubChem CID134958876
Molecular FormulaC14H9F3OS
Molecular Weight282.29 g/mol
Exact Mass282.03
IUPAC Name(2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol
SMILESO[C@](C#Cc1ccsc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H9F3OS/c15-14(16,17)13(18,12-4-2-1-3-5-12)8-6-11-7-9-19-10-11/h1-5,7,9-10,18H/t13-/m1/s1
InChIKeyDVRRDOHGXQAHRR-CYBMUJFWSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenyl(2-thienyl)methanol
CID 2741016
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
Diphenyl(thiophen-2-yl)methanol
CID 315631
4-(Diethylamino)-1-phenyl-1-(thiophen-2-yl)but-2-yn-1-ol
CID 120858
1,1,1,3,3,3-Hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
CID 102004321
(5-(Phenylethynyl)thiophen-2-yl)methanol
CID 2822242
Diphenyl(thiophen-3-yl)methanol
CID 315629
Uxwxnuleokqdqj-uhfffaoysa-
CID 21680490
2-Thiophenemethanol, alpha-(3-(diethylamino)-1-propynyl)-alpha-phenyl-, hydrochloride
CID 120857
(2-(Thiophen-2-yl)phenyl)methanol
CID 2795559
Cambridge id 5616753
CID 2855863
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol (CID 134958876) is (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol is O[C@](C#Cc1ccsc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol?
The InChIKey is DVRRDOHGXQAHRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H9F3OS/c15-14(16,17)13(18,12-4-2-1-3-5-12)8-6-11-7-9-19-10-11/h1-5,7,9-10,18H/t13-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol?
(2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol has a molecular weight of 282.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-phenyl-4-thiophen-3-ylbut-3-yn-2-ol is sourced from PubChem (CID 134958876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).