ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate

C9H10F3NO3 — CID 133061146

IUPACethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate
SMILESCCOC(=O)c1cc(CN)c(C(F)(F)F)o1
InChIInChI=1S/C9H10F3NO3/c1-2-15-8(14)6-3-5(4-13)7(16-6)9(10,11)12/h3H,2,4,13H2,1H3
InChIKeyZZTPZHKVSOZJBM-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.93
Rot. Bonds3

About ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate

ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate (PubChem CID 133061146) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate
PubChem CID133061146
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Nameethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate
SMILESCCOC(=O)c1cc(CN)c(C(F)(F)F)o1
InChIInChI=1S/C9H10F3NO3/c1-2-15-8(14)6-3-5(4-13)7(16-6)9(10,11)12/h3H,2,4,13H2,1H3
InChIKeyZZTPZHKVSOZJBM-UHFFFAOYSA-N
XLogP1.93
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
CID 133054703
ethyl 4-(bromomethyl)-5-methylfuran-2-carboxylate
CID 15180431
ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
CID 90154398
ethyl 1-oxo-6,7-bis(trifluoromethyl)isochromene-3-carboxylate
CID 14568419
ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 158434340
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
[amino-[(5-ethoxycarbonyl-2-ethylfuran-3-yl)methylsulfanyl]methylidene]azanium
CID 3619747
ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate
CID 102364066
ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate
CID 156769459
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-carboxylate
CID 56971831
ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 91654866

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate?
The IUPAC name of ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate (CID 133061146) is ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate?
The canonical SMILES for ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate is CCOC(=O)c1cc(CN)c(C(F)(F)F)o1.
What is the InChIKey of ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate?
The InChIKey is ZZTPZHKVSOZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-2-15-8(14)6-3-5(4-13)7(16-6)9(10,11)12/h3H,2,4,13H2,1H3.
What are the key properties of ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate?
ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate has a molecular weight of 237.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate is sourced from PubChem (CID 133061146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).