5,5,5-trifluoro-2-phenylpent-3-yn-2-ol

C11H9F3O — CID 4084211

IUPAC5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
SMILESCC(O)(C#CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F3O/c1-10(15,7-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,15H,1H3
InChIKeyLEAINCJNUNDQPD-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.46
Rot. Bonds1

About 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol

5,5,5-trifluoro-2-phenylpent-3-yn-2-ol (PubChem CID 4084211) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
PubChem CID4084211
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
SMILESCC(O)(C#CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F3O/c1-10(15,7-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,15H,1H3
InChIKeyLEAINCJNUNDQPD-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
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2-phenyl-4-(3,4,5-trifluorophenyl)but-3-yn-2-ol
CID 146003785
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol
CID 130055842
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CID 10942535
4-(3-chloro-4-fluorophenyl)-2-phenylbut-3-yn-2-ol
CID 146002834
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
1-[4-(3-hydroxy-3-phenylbut-1-ynyl)phenyl]ethanone
CID 11184641
4-(2-nitrophenyl)-2-phenylbut-3-yn-2-ol
CID 23345644
2-phenyl-5-pyrrolidin-1-ylhex-3-yn-2-ol
CID 21225055

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol?
The IUPAC name of 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol (CID 4084211) is 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol?
The canonical SMILES for 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol is CC(O)(C#CC(F)(F)F)c1ccccc1.
What is the InChIKey of 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol?
The InChIKey is LEAINCJNUNDQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c1-10(15,7-8-11(12,13)14)9-5-3-2-4-6-9/h2-6,15H,1H3.
What are the key properties of 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol?
5,5,5-trifluoro-2-phenylpent-3-yn-2-ol has a molecular weight of 214.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-phenylpent-3-yn-2-ol is sourced from PubChem (CID 4084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).