methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate

C13H11F2NO3 — CID 43759661

IUPACmethyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO3/c1-18-13(17)12-8(4-5-19-12)7-16-11-6-9(14)2-3-10(11)15/h2-6,16H,7H2,1H3
InChIKeySQBKYDHAIUBKRL-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.96
Rot. Bonds4

About methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate

methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate (PubChem CID 43759661) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
PubChem CID43759661
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Namemethyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO3/c1-18-13(17)12-8(4-5-19-12)7-16-11-6-9(14)2-3-10(11)15/h2-6,16H,7H2,1H3
InChIKeySQBKYDHAIUBKRL-UHFFFAOYSA-N
XLogP2.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate
CID 43783764
methyl 3-[(5-bromo-2,4-difluoroanilino)methyl]furan-2-carboxylate
CID 102853126
methyl 3-[(4-chloro-2-methylanilino)methyl]furan-2-carboxylate
CID 43766587
methyl 3-[(2-chloro-4,6-difluoroanilino)methyl]furan-2-carboxylate
CID 83081479
3-[(2-fluoro-5-methylanilino)methyl]furan-2-carboxylic acid
CID 103236587
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118
methyl 3-[(2-cyanoanilino)methyl]furan-2-carboxylate
CID 43425461
methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43792103
methyl 3-[(2-amino-5-fluorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 79143948
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate (CID 43759661) is methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNc1cc(F)ccc1F.
What is the InChIKey of methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate?
The InChIKey is SQBKYDHAIUBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-18-13(17)12-8(4-5-19-12)7-16-11-6-9(14)2-3-10(11)15/h2-6,16H,7H2,1H3.
What are the key properties of methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate?
methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate has a molecular weight of 267.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43759661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).