4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol

C12H11F3O — CID 122575514

IUPAC4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol
SMILESC#CC(O)C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O/c1-3-11(16)8(2)9-4-6-10(7-5-9)12(13,14)15/h1,4-8,11,16H,2H3
InChIKeyAUZWTRSGXHBWGF-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.80
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol

4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol (PubChem CID 122575514) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol
PubChem CID122575514
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol
SMILESC#CC(O)C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3O/c1-3-11(16)8(2)9-4-6-10(7-5-9)12(13,14)15/h1,4-8,11,16H,2H3
InChIKeyAUZWTRSGXHBWGF-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
CID 63999141
(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 134939690
(1R,2S,4S,5R)-1,5-dihydroxy-2,4-dimethyl-1,5-bis[4-(trifluoromethyl)phenyl]pentan-3-one
CID 177451871

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol (CID 122575514) is 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol is C#CC(O)C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol?
The InChIKey is AUZWTRSGXHBWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c1-3-11(16)8(2)9-4-6-10(7-5-9)12(13,14)15/h1,4-8,11,16H,2H3.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol?
4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol has a molecular weight of 228.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol is sourced from PubChem (CID 122575514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).