5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid

C10H12FNO2S — CID 67506220

IUPAC5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid
SMILESCc1sc([C@@H]2C[C@@H](F)CN2)cc1C(=O)O
InChIInChI=1S/C10H12FNO2S/c1-5-7(10(13)14)3-9(15-5)8-2-6(11)4-12-8/h3,6,8,12H,2,4H2,1H3,(H,13,14)/t6-,8+/m1/s1
InChIKeyQJYUFHPTLRFIPP-SVRRBLITSA-N
MW229.28 g/mol
LogP2.13
Rot. Bonds2

About 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid

5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid (PubChem CID 67506220) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid
PubChem CID67506220
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid
SMILESCc1sc([C@@H]2C[C@@H](F)CN2)cc1C(=O)O
InChIInChI=1S/C10H12FNO2S/c1-5-7(10(13)14)3-9(15-5)8-2-6(11)4-12-8/h3,6,8,12H,2,4H2,1H3,(H,13,14)/t6-,8+/m1/s1
InChIKeyQJYUFHPTLRFIPP-SVRRBLITSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid?
The IUPAC name of 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid (CID 67506220) is 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid is Cc1sc([C@@H]2C[C@@H](F)CN2)cc1C(=O)O.
What is the InChIKey of 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid?
The InChIKey is QJYUFHPTLRFIPP-SVRRBLITSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-5-7(10(13)14)3-9(15-5)8-2-6(11)4-12-8/h3,6,8,12H,2,4H2,1H3,(H,13,14)/t6-,8+/m1/s1.
What are the key properties of 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid?
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 67506220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).