1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol

C10H8Cl2F2O — CID 134861856

IUPAC1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol
SMILESC=CC(F)(F)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2F2O/c1-2-10(13,14)9(15)7-4-3-6(11)5-8(7)12/h2-5,9,15H,1H2
InChIKeyYTEUFBGWJHEJEO-UHFFFAOYSA-N
MW253.08 g/mol
LogP3.85
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol

1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol (PubChem CID 134861856) has the molecular formula C10H8Cl2F2O and a molecular weight of 253.08 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol
PubChem CID134861856
Molecular FormulaC10H8Cl2F2O
Molecular Weight253.08 g/mol
Exact Mass251.99
IUPAC Name1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol
SMILESC=CC(F)(F)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2F2O/c1-2-10(13,14)9(15)7-4-3-6(11)5-8(7)12/h2-5,9,15H,1H2
InChIKeyYTEUFBGWJHEJEO-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-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

(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171162634
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
3-(4-chloro-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 114867065
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
CID 79660738
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol (CID 134861856) is 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol is C=CC(F)(F)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol?
The InChIKey is YTEUFBGWJHEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O/c1-2-10(13,14)9(15)7-4-3-6(11)5-8(7)12/h2-5,9,15H,1H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol?
1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol has a molecular weight of 253.08 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2,2-difluorobut-3-en-1-ol is sourced from PubChem (CID 134861856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).