3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid

C12H10FNO3 — CID 103235449

IUPAC3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNc1ccccc1F
InChIInChI=1S/C12H10FNO3/c13-9-3-1-2-4-10(9)14-7-8-5-6-17-11(8)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyYNDWDKMCUFTWBU-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.73
Rot. Bonds4

About 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid

3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid (PubChem CID 103235449) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid
PubChem CID103235449
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNc1ccccc1F
InChIInChI=1S/C12H10FNO3/c13-9-3-1-2-4-10(9)14-7-8-5-6-17-11(8)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyYNDWDKMCUFTWBU-UHFFFAOYSA-N
XLogP2.73
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
CID 103231526
3-[(2-fluoro-5-methylanilino)methyl]furan-2-carboxylic acid
CID 103236587
3-[(2,6-diethylanilino)methyl]furan-2-carboxylic acid
CID 103248262
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43131920
methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
CID 43759661
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
CID 103261384
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613
methyl 3-[(2-cyanoanilino)methyl]furan-2-carboxylate
CID 43425461
3-[(1-phenylpropylamino)methyl]furan-2-carboxylic acid
CID 103248056

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid (CID 103235449) is 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNc1ccccc1F.
What is the InChIKey of 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid?
The InChIKey is YNDWDKMCUFTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-3-1-2-4-10(9)14-7-8-5-6-17-11(8)12(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid?
3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103235449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).