methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate

C10H10FNO4 — CID 167803726

IUPACmethyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate
SMILESC=C(F)C(=O)NCc1ccc(C(=O)OC)o1
InChIInChI=1S/C10H10FNO4/c1-6(11)9(13)12-5-7-3-4-8(16-7)10(14)15-2/h3-4H,1,5H2,2H3,(H,12,13)
InChIKeyLQRKMGGMERSNSN-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.17
Rot. Bonds4

About methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate

methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate (PubChem CID 167803726) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate
PubChem CID167803726
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Namemethyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate
SMILESC=C(F)C(=O)NCc1ccc(C(=O)OC)o1
InChIInChI=1S/C10H10FNO4/c1-6(11)9(13)12-5-7-3-4-8(16-7)10(14)15-2/h3-4H,1,5H2,2H3,(H,12,13)
InChIKeyLQRKMGGMERSNSN-UHFFFAOYSA-N
XLogP1.17
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 167840729
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[(3,5-dichloro-4-fluoroanilino)methyl]furan-2-carboxylate
CID 107572628

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate (CID 167803726) is methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate is C=C(F)C(=O)NCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate?
The InChIKey is LQRKMGGMERSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-6(11)9(13)12-5-7-3-4-8(16-7)10(14)15-2/h3-4H,1,5H2,2H3,(H,12,13).
What are the key properties of methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate?
methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate has a molecular weight of 227.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 167803726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).