(E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile

C11H9F2NO — CID 62706950

IUPAC(E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile
SMILESN#CC(F)(F)C(O)/C=C/c1ccccc1
InChIInChI=1S/C11H9F2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+
InChIKeyAFBIJCHPYOXLMO-VOTSOKGWSA-N
MW209.20 g/mol
LogP2.22
Rot. Bonds3

About (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile

(E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile (PubChem CID 62706950) has the molecular formula C11H9F2NO and a molecular weight of 209.20 g/mol. Its IUPAC name is (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile.

Molecular Properties

Compound Name(E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile
PubChem CID62706950
Molecular FormulaC11H9F2NO
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile
SMILESN#CC(F)(F)C(O)/C=C/c1ccccc1
InChIInChI=1S/C11H9F2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+
InChIKeyAFBIJCHPYOXLMO-VOTSOKGWSA-N
XLogP2.22
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Fluorophenyl)-3-hydroxypropanenitrile
CID 15063214
Cinnamyl alcohol, 1-(2-hydroxy-2-bis(trifluoromethyl))ethyl-
CID 5993188
(2R)-2-(4-fluorophenyl)-2-hydroxyacetonitrile
CID 11275111
(2S,3E)-2-hydroxy-4-phenylbut-3-enenitrile
CID 10176253
(2S)-2-hydroxy-4-phenylbutanenitrile
CID 10313250
2-[(4-Fluorophenyl)-hydroxymethyl]prop-2-enenitrile
CID 15372263
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 10176582
4-Methyl-1-[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ol
CID 49859307
(2S)-2-(4-Fluorophenyl)-2-hydroxyacetonitrile
CID 11105536
2-[(2-Fluorophenyl)-hydroxymethyl]prop-2-enenitrile
CID 15395002
(Z)-3-ethoxy-4,4,5,5,5-pentafluoro-2-(1-hydroxy-3-phenylprop-2-ynyl)pent-2-enenitrile
CID 134933299
2-(4-Fluorophenyl)-2-hydroxyacetonitrile
CID 9920427

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile?
The IUPAC name of (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile (CID 62706950) is (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile.
What is the SMILES notation for (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile?
The canonical SMILES for (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile is N#CC(F)(F)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile?
The InChIKey is AFBIJCHPYOXLMO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+.
What are the key properties of (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile?
(E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile has a molecular weight of 209.20 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-3-hydroxy-5-phenylpent-4-enenitrile is sourced from PubChem (CID 62706950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).