methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate

C11H13F4NO3 — CID 114169679

IUPACmethyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC(F)(F)C(F)F)o1
InChIInChI=1S/C11H13F4NO3/c1-6(16-5-11(14,15)10(12)13)7-3-4-8(19-7)9(17)18-2/h3-4,6,10,16H,5H2,1-2H3
InChIKeyNNLJIQWOVDHPBS-UHFFFAOYSA-N
MW283.22 g/mol
LogP2.62
Rot. Bonds6

About methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate (PubChem CID 114169679) has the molecular formula C11H13F4NO3 and a molecular weight of 283.22 g/mol. Its IUPAC name is methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
PubChem CID114169679
Molecular FormulaC11H13F4NO3
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Namemethyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC(F)(F)C(F)F)o1
InChIInChI=1S/C11H13F4NO3/c1-6(16-5-11(14,15)10(12)13)7-3-4-8(19-7)9(17)18-2/h3-4,6,10,16H,5H2,1-2H3
InChIKeyNNLJIQWOVDHPBS-UHFFFAOYSA-N
XLogP2.62
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398
methyl 5-[1-(4,4,4-trifluorobutylamino)ethyl]furan-2-carboxylate
CID 103261934
methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 106278498
methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
CID 106294446
2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104578482
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate (CID 114169679) is methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NCC(F)(F)C(F)F)o1.
What is the InChIKey of methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate?
The InChIKey is NNLJIQWOVDHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3/c1-6(16-5-11(14,15)10(12)13)7-3-4-8(19-7)9(17)18-2/h3-4,6,10,16H,5H2,1-2H3.
What are the key properties of methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate has a molecular weight of 283.22 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 114169679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).