[2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate

C9H10F3NO3 — CID 77182223

IUPAC[2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate
SMILESNC(COC(=O)C(F)(F)F)Cc1ccoc1
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)8(14)16-5-7(13)3-6-1-2-15-4-6/h1-2,4,7H,3,5,13H2
InChIKeyCCNPEUAUUUSWLK-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.25
Rot. Bonds4

About [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate

[2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate (PubChem CID 77182223) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate
PubChem CID77182223
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name[2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate
SMILESNC(COC(=O)C(F)(F)F)Cc1ccoc1
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)8(14)16-5-7(13)3-6-1-2-15-4-6/h1-2,4,7H,3,5,13H2
InChIKeyCCNPEUAUUUSWLK-UHFFFAOYSA-N
XLogP1.25
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate (CID 77182223) is [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate is NC(COC(=O)C(F)(F)F)Cc1ccoc1.
What is the InChIKey of [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate?
The InChIKey is CCNPEUAUUUSWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)8(14)16-5-7(13)3-6-1-2-15-4-6/h1-2,4,7H,3,5,13H2.
What are the key properties of [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate?
[2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate has a molecular weight of 237.18 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 77182223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).