5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol

C11H8F2O — CID 50937009

IUPAC5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol
SMILESC=CC(O)C#Cc1ccc(F)cc1F
InChIInChI=1S/C11H8F2O/c1-2-10(14)6-4-8-3-5-9(12)7-11(8)13/h2-3,5,7,10,14H,1H2
InChIKeyZZHFIODHXSYWAL-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.86
Rot. Bonds1

About 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol

5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol (PubChem CID 50937009) has the molecular formula C11H8F2O and a molecular weight of 194.18 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol
PubChem CID50937009
Molecular FormulaC11H8F2O
Molecular Weight194.18 g/mol
Exact Mass194.05
IUPAC Name5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol
SMILESC=CC(O)C#Cc1ccc(F)cc1F
InChIInChI=1S/C11H8F2O/c1-2-10(14)6-4-8-3-5-9(12)7-11(8)13/h2-3,5,7,10,14H,1H2
InChIKeyZZHFIODHXSYWAL-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cinnamyl Alcohol
CID 5315892
3-Phenylprop-2-En-1-Ol
CID 308
4-Phenylbut-3-en-2-ol
CID 15172
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
1,5-Diphenyl-1,4-pentadiyn-3-OL
CID 568438
3-Phenyl-2-propyn-1-ol
CID 123115
(Z)-3-Phenyl-2-propen-1-ol
CID 5280511
1-Phenyl-4-methyl-1-pentyn-3-ol
CID 138800
4-Phenylbut-3-yn-1-ol
CID 575462
4-Phenyl-3-butyn-2-ol
CID 582962
1-Phenyl-1-pentyn-3-ol
CID 11789508

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol?
The IUPAC name of 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol (CID 50937009) is 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol.
What is the SMILES notation for 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol?
The canonical SMILES for 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol is C=CC(O)C#Cc1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol?
The InChIKey is ZZHFIODHXSYWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O/c1-2-10(14)6-4-8-3-5-9(12)7-11(8)13/h2-3,5,7,10,14H,1H2.
What are the key properties of 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol?
5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol has a molecular weight of 194.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)pent-1-en-4-yn-3-ol is sourced from PubChem (CID 50937009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).