methyl 4-fluoro-5-propylthiophene-2-carboxylate

C9H11FO2S — CID 22134205

IUPACmethyl 4-fluoro-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OC)cc1F
InChIInChI=1S/C9H11FO2S/c1-3-4-7-6(10)5-8(13-7)9(11)12-2/h5H,3-4H2,1-2H3
InChIKeyWPGZZRHWOWTYSC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.63
Rot. Bonds3

About methyl 4-fluoro-5-propylthiophene-2-carboxylate

methyl 4-fluoro-5-propylthiophene-2-carboxylate (PubChem CID 22134205) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-fluoro-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-5-propylthiophene-2-carboxylate
PubChem CID22134205
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Namemethyl 4-fluoro-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OC)cc1F
InChIInChI=1S/C9H11FO2S/c1-3-4-7-6(10)5-8(13-7)9(11)12-2/h5H,3-4H2,1-2H3
InChIKeyWPGZZRHWOWTYSC-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-5-propylthiophene-2-carboxylic acid
CID 22134237
methyl 4-phenyl-5-propylthiophene-2-carboxylate
CID 58438998
methyl 5-chloro-4-fluorothiophene-2-carboxylate
CID 121232058
methyl 4-(chloromethyl)-5-nonylthiophene-2-carboxylate
CID 598251
methyl 5-propylthiophene-2-carboxylate
CID 14933665
methyl 5,6-difluoro-1-benzothiophene-2-carboxylate
CID 165347141
4-bromo-5-propylthiophene-2-carboxylic acid
CID 3843134
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
CID 97034573
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651367
methyl 5-fluoro-6-methoxy-1-benzothiophene-2-carboxylate
CID 162421029
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-5-propylthiophene-2-carboxylate?
The IUPAC name of methyl 4-fluoro-5-propylthiophene-2-carboxylate (CID 22134205) is methyl 4-fluoro-5-propylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-5-propylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OC)cc1F.
What is the InChIKey of methyl 4-fluoro-5-propylthiophene-2-carboxylate?
The InChIKey is WPGZZRHWOWTYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-3-4-7-6(10)5-8(13-7)9(11)12-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 4-fluoro-5-propylthiophene-2-carboxylate?
methyl 4-fluoro-5-propylthiophene-2-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 22134205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).