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

C10H11F4NO3 — CID 103529404

IUPACmethyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H11F4NO3/c1-17-8(16)7-6(2-3-18-7)4-15-5-10(13,14)9(11)12/h2-3,9,15H,4-5H2,1H3
InChIKeyBUSUQHXYFMHVIM-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.06
Rot. Bonds6

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

methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate (PubChem CID 103529404) has the molecular formula C10H11F4NO3 and a molecular weight of 269.19 g/mol. Its IUPAC name is methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate
PubChem CID103529404
Molecular FormulaC10H11F4NO3
Molecular Weight269.19 g/mol
Exact Mass269.07
IUPAC Namemethyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H11F4NO3/c1-17-8(16)7-6(2-3-18-7)4-15-5-10(13,14)9(11)12/h2-3,9,15H,4-5H2,1H3
InChIKeyBUSUQHXYFMHVIM-UHFFFAOYSA-N
XLogP2.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.06
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 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
CID 43234477
methyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]furan-2-carboxylate
CID 103923443
methyl 3-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]furan-2-carboxylate
CID 63858594
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113352553
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate (CID 103529404) is methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNCC(F)(F)C(F)F.
What is the InChIKey of methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate?
The InChIKey is BUSUQHXYFMHVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO3/c1-17-8(16)7-6(2-3-18-7)4-15-5-10(13,14)9(11)12/h2-3,9,15H,4-5H2,1H3.
What are the key properties of methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate?
methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate has a molecular weight of 269.19 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 103529404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).