(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol

C10H9F3O2 — CID 89384206

IUPAC(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
SMILESOC(O)(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-7,14-15H/b7-6+
InChIKeyZEGKHDRULCVRNH-VOTSOKGWSA-N
MW218.17 g/mol
LogP1.94
Rot. Bonds2

About (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol

(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol (PubChem CID 89384206) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
PubChem CID89384206
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
SMILESOC(O)(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-7,14-15H/b7-6+
InChIKeyZEGKHDRULCVRNH-VOTSOKGWSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 71360876
(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
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
[(1E,4E)-1,5-diphenyl-3-(trifluoromethyl)penta-1,4-dien-3-yl]oxy-trimethylsilane
CID 10714568
(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol
CID 102474223
(E,2S)-4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 67708369
4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 54024044
[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
CID 10988246
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol?
The IUPAC name of (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol (CID 89384206) is (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol?
The canonical SMILES for (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol is OC(O)(/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol?
The InChIKey is ZEGKHDRULCVRNH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-7,14-15H/b7-6+.
What are the key properties of (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol?
(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol has a molecular weight of 218.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol is sourced from PubChem (CID 89384206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).