5-(4-fluorophenyl)penta-2,4-diynoic acid

C11H5FO2 — CID 119088669

IUPAC5-(4-fluorophenyl)penta-2,4-diynoic acid
SMILESO=C(O)C#CC#Cc1ccc(F)cc1
InChIInChI=1S/C11H5FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,(H,13,14)
InChIKeyGRVFRRZLEZZWAQ-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.27
Rot. Bonds

About 5-(4-fluorophenyl)penta-2,4-diynoic acid

5-(4-fluorophenyl)penta-2,4-diynoic acid (PubChem CID 119088669) has the molecular formula C11H5FO2 and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-(4-fluorophenyl)penta-2,4-diynoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)penta-2,4-diynoic acid
PubChem CID119088669
Molecular FormulaC11H5FO2
Molecular Weight188.16 g/mol
Exact Mass188.03
IUPAC Name5-(4-fluorophenyl)penta-2,4-diynoic acid
SMILESO=C(O)C#CC#Cc1ccc(F)cc1
InChIInChI=1S/C11H5FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,(H,13,14)
InChIKeyGRVFRRZLEZZWAQ-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene
CID 20700580
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
9-[3-(8-carboxyocta-1,3,5,7-tetraynyl)-5-methylphenyl]nona-2,4,6,8-tetraynoic acid
CID 58816898
4-(2-carboxyethynyl)benzoic acid
CID 11106139
tert-butyl 3-(4-fluorophenyl)prop-2-ynoate
CID 165458920
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide
CID 169084149
1-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 166445967
1-fluoro-4-(2-fluoroethynyl)benzene
CID 69171981
1-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 71345991
[4-[4-(4-benzoylphenyl)buta-1,3-diynyl]phenyl]-phenylmethanone
CID 19870024
2-oxopropyl 3-(4-fluorophenyl)prop-2-ynoate
CID 172809808

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)penta-2,4-diynoic acid?
The IUPAC name of 5-(4-fluorophenyl)penta-2,4-diynoic acid (CID 119088669) is 5-(4-fluorophenyl)penta-2,4-diynoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)penta-2,4-diynoic acid?
The canonical SMILES for 5-(4-fluorophenyl)penta-2,4-diynoic acid is O=C(O)C#CC#Cc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)penta-2,4-diynoic acid?
The InChIKey is GRVFRRZLEZZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,(H,13,14).
What are the key properties of 5-(4-fluorophenyl)penta-2,4-diynoic acid?
5-(4-fluorophenyl)penta-2,4-diynoic acid has a molecular weight of 188.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)penta-2,4-diynoic acid is sourced from PubChem (CID 119088669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).