methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate

C13H12FNO2S — CID 118135551

IUPACmethyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CNc2ccccc2F)cs1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)12-6-9(8-18-12)7-15-11-5-3-2-4-10(11)14/h2-6,8,15H,7H2,1H3
InChIKeyYOUQUEDETUDMHQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.29
Rot. Bonds4

About methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate

methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate (PubChem CID 118135551) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
PubChem CID118135551
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CNc2ccccc2F)cs1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)12-6-9(8-18-12)7-15-11-5-3-2-4-10(11)14/h2-6,8,15H,7H2,1H3
InChIKeyYOUQUEDETUDMHQ-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
CID 134537275
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
methyl 4-[[(5-bromo-6-methoxy-2-pyridinyl)amino]methyl]thiophene-2-carboxylate
CID 166357842
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613
methyl 2-fluoro-4-[(2-methylanilino)methyl]benzoate
CID 106699598
4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
methyl 4-[(2-bromoanilino)methyl]-2-fluorobenzoate
CID 106699571
methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
methyl 4-chloro-5-[(2-fluoroanilino)methyl]-2-hydroxy-3-methoxybenzoate
CID 132526521
ethyl N-[2-amino-4-[(2-fluoroanilino)methyl]phenyl]carbamate
CID 11722512
4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
methyl 4-fluoro-2-[(5-nitrothiophen-3-yl)methylamino]benzoate
CID 60811028

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate (CID 118135551) is methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate is COC(=O)c1cc(CNc2ccccc2F)cs1.
What is the InChIKey of methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate?
The InChIKey is YOUQUEDETUDMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-17-13(16)12-6-9(8-18-12)7-15-11-5-3-2-4-10(11)14/h2-6,8,15H,7H2,1H3.
What are the key properties of methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate?
methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 118135551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).