2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol

C11H10ClF3O — CID 71746880

IUPAC2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=CC(CO)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H10ClF3O/c1-2-10(7-16,11(13,14)15)8-3-5-9(12)6-4-8/h2-6,16H,1,7H2
InChIKeyDKZZGNJKLWGAGN-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol

2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol (PubChem CID 71746880) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol
PubChem CID71746880
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=CC(CO)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H10ClF3O/c1-2-10(7-16,11(13,14)15)8-3-5-9(12)6-4-8/h2-6,16H,1,7H2
InChIKeyDKZZGNJKLWGAGN-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-beta-(4-chlorophenyl)benzeneethanol
CID 17533
p-Chlorophenethylic alcohol
CID 74647
4-Chloro-alpha,alpha-dimethylbenzeneethanol
CID 79609
4-Chlorobenzenepropanol
CID 221971
1-(4-Chlorophenyl)-2,2,2-trifluoroethanol
CID 260399
1-(4-Chlorophenyl)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butane-1,3-diol
CID 36960
1,3-Butanediol, 1-(p-chlorophenyl)-2-ethyl-3-(trifluoromethyl)-4,4,4-trifluoro-
CID 36961
m-Chlorophenethylic alcohol
CID 78856
o-Chlorophenethylic alcohol
CID 88266
2-(4-Chlorophenyl)prop-2-en-1-ol
CID 10654689
1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-ol
CID 61100888
2-Chloro-5-(trifluoromethyl)benzylalcohol
CID 2778110

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol (CID 71746880) is 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol is C=CC(CO)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol?
The InChIKey is DKZZGNJKLWGAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c1-2-10(7-16,11(13,14)15)8-3-5-9(12)6-4-8/h2-6,16H,1,7H2.
What are the key properties of 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol?
2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol has a molecular weight of 250.65 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(trifluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 71746880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).