3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid

C13H10ClFO2S — CID 79439325

IUPAC3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C13H10ClFO2S/c14-12-6-5-8(18-12)7-10(13(16)17)9-3-1-2-4-11(9)15/h1-6,10H,7H2,(H,16,17)
InChIKeyDKYCAQFNMZSIBF-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.95
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid

3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid (PubChem CID 79439325) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid
PubChem CID79439325
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C13H10ClFO2S/c14-12-6-5-8(18-12)7-10(13(16)17)9-3-1-2-4-11(9)15/h1-6,10H,7H2,(H,16,17)
InChIKeyDKYCAQFNMZSIBF-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
CID 79439713
2-(2-fluorophenyl)butanedioic acid
CID 50990542
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
CID 79439245
3-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)propanoic acid
CID 104631534
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
(E)-5-chloro-2-(2-fluorophenyl)pent-4-enoic acid
CID 107900909
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid
CID 114084589

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid (CID 79439325) is 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Cl)s1)c1ccccc1F.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid?
The InChIKey is DKYCAQFNMZSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c14-12-6-5-8(18-12)7-10(13(16)17)9-3-1-2-4-11(9)15/h1-6,10H,7H2,(H,16,17).
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid?
3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid has a molecular weight of 284.74 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 79439325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).