1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol

C13H11F3O — CID 163274338

IUPAC1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol
SMILESOC1(C#Cc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C13H11F3O/c14-13(15,16)11-4-2-10(3-5-11)6-9-12(17)7-1-8-12/h2-5,17H,1,7-8H2
InChIKeyODUOLZZLECFUIY-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.97
Rot. Bonds

About 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol

1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol (PubChem CID 163274338) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol
PubChem CID163274338
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol
SMILESOC1(C#Cc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C13H11F3O/c14-13(15,16)11-4-2-10(3-5-11)6-9-12(17)7-1-8-12/h2-5,17H,1,7-8H2
InChIKeyODUOLZZLECFUIY-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-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-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
3-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolidine
CID 171092981
1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol
CID 130055746
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
CID 45276566
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
4-methoxy-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidine
CID 171092885
1-[2-(4-butylphenyl)ethynyl]cyclopentan-1-ol
CID 146002790
1-[2-(3-chloro-4-methylphenyl)ethynyl]cyclopentan-1-ol
CID 146002942
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
CID 66035096
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
4-[2-(3-chlorophenyl)ethynyl]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 69317946
1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
CID 130055841

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol (CID 163274338) is 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol is OC1(C#Cc2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol?
The InChIKey is ODUOLZZLECFUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c14-13(15,16)11-4-2-10(3-5-11)6-9-12(17)7-1-8-12/h2-5,17H,1,7-8H2.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol?
1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol has a molecular weight of 240.22 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol is sourced from PubChem (CID 163274338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).