(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine

C7H7F3N2O3 — CID 171198348

IUPAC(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-4(11)5-1-2-6(15-5)12(13)14/h1-2,4H,3,11H2/t4-/m1/s1
InChIKeyRPFCFTBMRIZECY-SCSAIBSYSA-N
MW224.14 g/mol
LogP2.14
Rot. Bonds3

About (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine (PubChem CID 171198348) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
PubChem CID171198348
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-4(11)5-1-2-6(15-5)12(13)14/h1-2,4H,3,11H2/t4-/m1/s1
InChIKeyRPFCFTBMRIZECY-SCSAIBSYSA-N
XLogP2.14
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171313434
(1S)-1-(5-nitrofuran-2-yl)butane-1,4-diamine;hydrochloride
CID 171217848
1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine
CID 61078828
2-(3,4-dimethoxyphenyl)-1-(5-nitrofuran-2-yl)ethanamine
CID 61080311
2-(1,1-difluoroethyl)-5-nitrofuran
CID 119098179
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
CID 171211482
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
ethyl (3S)-3-amino-2-fluoro-3-(5-nitrofuran-2-yl)propanoate;hydrochloride
CID 171245657
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-5-nitrofuran
CID 63018736
2-amino-3-hydroxy-3-(5-nitrofuran-2-yl)propanoic acid
CID 66206757
1-[(1S)-4,4,4-trifluoro-1-(5-nitrofuran-2-yl)butyl]piperazine;dihydrochloride
CID 171302323

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine (CID 171198348) is (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine is N[C@H](CC(F)(F)F)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
The InChIKey is RPFCFTBMRIZECY-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)3-4(11)5-1-2-6(15-5)12(13)14/h1-2,4H,3,11H2/t4-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine has a molecular weight of 224.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine is sourced from PubChem (CID 171198348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).