1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol

C16H11F3O — CID 14246731

IUPAC1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F3O/c17-16(18,19)15(20,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,20H
InChIKeyZFWVBNIIRXZVTP-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.49
Rot. Bonds1

About 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol

1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol (PubChem CID 14246731) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol
PubChem CID14246731
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F3O/c17-16(18,19)15(20,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,20H
InChIKeyZFWVBNIIRXZVTP-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.49
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

2-Phenyl-2-propanol
CID 12053
3-Hydroxy-3-phenyl-1-butyne
CID 92098
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
Diphenylethynylcarbinol
CID 92976
1,1,3-Triphenyl-2-propyn-1-ol
CID 137058

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol?
The IUPAC name of 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol (CID 14246731) is 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol is OC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol?
The InChIKey is ZFWVBNIIRXZVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)15(20,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,20H.
What are the key properties of 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol?
1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol has a molecular weight of 276.26 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-ol is sourced from PubChem (CID 14246731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).