methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate

C7H8FNO2S — CID 139307516

IUPACmethyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate
SMILESCOC(=O)c1sc(F)cc1CN
InChIInChI=1S/C7H8FNO2S/c1-11-7(10)6-4(3-9)2-5(8)12-6/h2H,3,9H2,1H3
InChIKeyDWQHCXDYLDXXRQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.13
Rot. Bonds2

About methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate

methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate (PubChem CID 139307516) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate
PubChem CID139307516
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Namemethyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate
SMILESCOC(=O)c1sc(F)cc1CN
InChIInChI=1S/C7H8FNO2S/c1-11-7(10)6-4(3-9)2-5(8)12-6/h2H,3,9H2,1H3
InChIKeyDWQHCXDYLDXXRQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate
CID 159832924
methyl 2-(aminomethyl)-6-cyano-4-fluorobenzoate
CID 131470650
methyl 4-(aminomethyl)-5-fluoro-2-nitrobenzoate
CID 67678167
methyl 3-(aminomethyl)thiophene-2-carboxylate;methyl 3-(bromomethyl)thiophene-2-carboxylate
CID 157354994
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
(4-ethyl-5-methoxycarbonylthiophen-2-yl)oxyboronic acid
CID 156905204
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
methyl 3-(aminomethyl)-1-benzothiophene-2-carboxylate
CID 50988559
methyl 3-(aminomethyl)-5-fluorobenzoate;hydrochloride
CID 129319989
methyl 4-(aminomethyl)-3-bromobenzoate
CID 53419661

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate (CID 139307516) is methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate is COC(=O)c1sc(F)cc1CN.
What is the InChIKey of methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate?
The InChIKey is DWQHCXDYLDXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-11-7(10)6-4(3-9)2-5(8)12-6/h2H,3,9H2,1H3.
What are the key properties of methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate?
methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate is sourced from PubChem (CID 139307516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).