(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile

C8H7F3N2O — CID 130657274

IUPAC(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile
SMILESN#CC[C@H](N)c1coc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-3-5(4-14-7)6(13)1-2-12/h3-4,6H,1,13H2/t6-/m0/s1
InChIKeyIXHLWYSOOZTPTR-LURJTMIESA-N
MW204.15 g/mol
LogP2.21
Rot. Bonds2

About (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile

(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile (PubChem CID 130657274) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile.

Molecular Properties

Compound Name(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile
PubChem CID130657274
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile
SMILESN#CC[C@H](N)c1coc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-3-5(4-14-7)6(13)1-2-12/h3-4,6H,1,13H2/t6-/m0/s1
InChIKeyIXHLWYSOOZTPTR-LURJTMIESA-N
XLogP2.21
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile?
The IUPAC name of (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile (CID 130657274) is (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile.
What is the SMILES notation for (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile?
The canonical SMILES for (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile is N#CC[C@H](N)c1coc(C(F)(F)F)c1.
What is the InChIKey of (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile?
The InChIKey is IXHLWYSOOZTPTR-LURJTMIESA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7-3-5(4-14-7)6(13)1-2-12/h3-4,6H,1,13H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile?
(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile has a molecular weight of 204.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile is sourced from PubChem (CID 130657274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).