4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol

C11H9F3O — CID 11830797

IUPAC4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-8,15H,1H3
InChIKeyBOEVQZKYSZXGGL-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.44
Rot. Bonds

About 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol

4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol (PubChem CID 11830797) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol
PubChem CID11830797
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-8,15H,1H3
InChIKeyBOEVQZKYSZXGGL-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol (CID 11830797) is 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol is CC(O)C#Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol?
The InChIKey is BOEVQZKYSZXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-8,15H,1H3.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol?
4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol has a molecular weight of 214.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol is sourced from PubChem (CID 11830797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).