ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate

C10H12F3NO3 — CID 135364882

IUPACethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C10H12F3NO3/c1-2-16-9(15)7(14)5-6-3-4-8(17-6)10(11,12)13/h3-4,7H,2,5,14H2,1H3
InChIKeyZOMJCWINUICAGX-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate

ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate (PubChem CID 135364882) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate
PubChem CID135364882
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C10H12F3NO3/c1-2-16-9(15)7(14)5-6-3-4-8(17-6)10(11,12)13/h3-4,7H,2,5,14H2,1H3
InChIKeyZOMJCWINUICAGX-UHFFFAOYSA-N
XLogP1.73
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884863
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
ethyl 2-amino-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885411
ethyl 2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79019964
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170885417
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate (CID 135364882) is ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate is CCOC(=O)C(N)Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate?
The InChIKey is ZOMJCWINUICAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-2-16-9(15)7(14)5-6-3-4-8(17-6)10(11,12)13/h3-4,7H,2,5,14H2,1H3.
What are the key properties of ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate?
ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate has a molecular weight of 251.20 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate is sourced from PubChem (CID 135364882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).