2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol

C11H9Cl2F3O — CID 71360876

IUPAC2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
SMILESOC(C=Cc1ccccc1)(C(Cl)Cl)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3O/c12-9(13)10(17,11(14,15)16)7-6-8-4-2-1-3-5-8/h1-7,9,17H
InChIKeyZQXQALLCELNLFG-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.80
Rot. Bonds3

About 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol

2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol (PubChem CID 71360876) has the molecular formula C11H9Cl2F3O and a molecular weight of 285.09 g/mol. Its IUPAC name is 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
PubChem CID71360876
Molecular FormulaC11H9Cl2F3O
Molecular Weight285.09 g/mol
Exact Mass284.00
IUPAC Name2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
SMILESOC(C=Cc1ccccc1)(C(Cl)Cl)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3O/c12-9(13)10(17,11(14,15)16)7-6-8-4-2-1-3-5-8/h1-7,9,17H
InChIKeyZQXQALLCELNLFG-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
CID 89384206
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
CID 173322831
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enylbenzene
CID 85201521
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pent-4-ene-2,3-diol
CID 54223897
(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol
CID 100942786
buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene
CID 175218097
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
(E)-5-bromo-1-phenylhex-1-ene-3,3-diol
CID 170561254
[(1E,4E)-1,5-diphenyl-3-(trifluoromethyl)penta-1,4-dien-3-yl]oxy-trimethylsilane
CID 10714568
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
CID 22506486

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The IUPAC name of 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol (CID 71360876) is 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol.
What is the SMILES notation for 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The canonical SMILES for 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol is OC(C=Cc1ccccc1)(C(Cl)Cl)C(F)(F)F.
What is the InChIKey of 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The InChIKey is ZQXQALLCELNLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3O/c12-9(13)10(17,11(14,15)16)7-6-8-4-2-1-3-5-8/h1-7,9,17H.
What are the key properties of 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol has a molecular weight of 285.09 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 71360876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).