2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid

C14H13FO2S — CID 60794221

IUPAC2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cccs1)Cc1ccccc1F
InChIInChI=1S/C14H13FO2S/c15-13-6-2-1-4-10(13)8-11(14(16)17)9-12-5-3-7-18-12/h1-7,11H,8-9H2,(H,16,17)
InChIKeyDUNCHMWTGWEWGO-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.37
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid

2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid (PubChem CID 60794221) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
PubChem CID60794221
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cccs1)Cc1ccccc1F
InChIInChI=1S/C14H13FO2S/c15-13-6-2-1-4-10(13)8-11(14(16)17)9-12-5-3-7-18-12/h1-7,11H,8-9H2,(H,16,17)
InChIKeyDUNCHMWTGWEWGO-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoic acid
CID 19604203
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
CID 15571614
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
5-amino-2-[(2-fluorophenyl)methyl]-4-oxopentanoic acid
CID 159454907
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)propanoic acid
CID 102616907

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid (CID 60794221) is 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1cccs1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid?
The InChIKey is DUNCHMWTGWEWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-13-6-2-1-4-10(13)8-11(14(16)17)9-12-5-3-7-18-12/h1-7,11H,8-9H2,(H,16,17).
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid?
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 60794221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).