(E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol

C17H9F5O — CID 11045561

IUPAC(E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol
SMILESOC(C#C/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H9F5O/c18-13-12(14(19)16(21)17(22)15(13)20)11(23)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8,11,23H/b8-4+
InChIKeyXILGHVVSAIISCG-XBXARRHUSA-N
MW324.25 g/mol
LogP4.13
Rot. Bonds2

About (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol

(E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol (PubChem CID 11045561) has the molecular formula C17H9F5O and a molecular weight of 324.25 g/mol. Its IUPAC name is (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol
PubChem CID11045561
Molecular FormulaC17H9F5O
Molecular Weight324.25 g/mol
Exact Mass324.06
IUPAC Name(E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol
SMILESOC(C#C/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H9F5O/c18-13-12(14(19)16(21)17(22)15(13)20)11(23)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8,11,23H/b8-4+
InChIKeyXILGHVVSAIISCG-XBXARRHUSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 11029274
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
CID 122381477
3-phenylprop-2-ene-1,1-diol
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[(E)-3-phenylprop-2-enylidyne]borane
CID 142315973
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832
2-fluoroethenylbenzene;silane
CID 158885758
1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene
CID 138963154
[(1E,5E)-6-nitrohexa-1,5-dien-3-ynyl]benzene
CID 102228268
1-phenylpent-1-en-4-yn-3-ol
CID 570771

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol?
The IUPAC name of (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol (CID 11045561) is (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol.
What is the SMILES notation for (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol?
The canonical SMILES for (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol is OC(C#C/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol?
The InChIKey is XILGHVVSAIISCG-XBXARRHUSA-N. The full InChI is InChI=1S/C17H9F5O/c18-13-12(14(19)16(21)17(22)15(13)20)11(23)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8,11,23H/b8-4+.
What are the key properties of (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol?
(E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol has a molecular weight of 324.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3,4,5,6-pentafluorophenyl)-5-phenylpent-4-en-2-yn-1-ol is sourced from PubChem (CID 11045561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).