2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid

C14H13FO3 — CID 82161384

IUPAC2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2ccc(F)cc2)o1
InChIInChI=1S/C14H13FO3/c1-9-2-7-12(18-9)8-13(14(16)17)10-3-5-11(15)6-4-10/h2-7,13H,8H2,1H3,(H,16,17)
InChIKeyKUVUUIJJJGUCBO-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid

2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid (PubChem CID 82161384) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid
PubChem CID82161384
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2ccc(F)cc2)o1
InChIInChI=1S/C14H13FO3/c1-9-2-7-12(18-9)8-13(14(16)17)10-3-5-11(15)6-4-10/h2-7,13H,8H2,1H3,(H,16,17)
InChIKeyKUVUUIJJJGUCBO-UHFFFAOYSA-N
XLogP3.14
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
CID 155055621
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
5-[2-carboxy-2-[4-(dimethylamino)phenyl]ethyl]furan-2-carboxylic acid
CID 82140513
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
2-(4-fluorophenyl)heptanoic acid
CID 79435490
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
3-ethoxy-2-(4-fluorophenyl)propanoic acid
CID 103984158
2-(4-fluorophenyl)-5-phenylpent-4-ynoic acid
CID 79434382
2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79434797
2-(4-fluorophenyl)nonanoic acid
CID 79434490

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid (CID 82161384) is 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid is Cc1ccc(CC(C(=O)O)c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid?
The InChIKey is KUVUUIJJJGUCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-9-2-7-12(18-9)8-13(14(16)17)10-3-5-11(15)6-4-10/h2-7,13H,8H2,1H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid?
2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid has a molecular weight of 248.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid is sourced from PubChem (CID 82161384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).