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

C7H8F2N2O3 — CID 171313434

IUPAC(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
SMILESN[C@H](CC(F)F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)3-4(10)5-1-2-7(14-5)11(12)13/h1-2,4,6H,3,10H2/t4-/m1/s1
InChIKeyXSMVQZDGCGAQNR-SCSAIBSYSA-N
MW206.15 g/mol
LogP1.84
Rot. Bonds4

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

(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine (PubChem CID 171313434) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
PubChem CID171313434
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
SMILESN[C@H](CC(F)F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)3-4(10)5-1-2-7(14-5)11(12)13/h1-2,4,6H,3,10H2/t4-/m1/s1
InChIKeyXSMVQZDGCGAQNR-SCSAIBSYSA-N
XLogP1.84
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.84
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'}

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Related Compounds

(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171198348
(1S)-1-(5-nitrofuran-2-yl)butane-1,4-diamine;hydrochloride
CID 171217848
1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine
CID 61078828
ethyl (3S)-3-amino-2-fluoro-3-(5-nitrofuran-2-yl)propanoate;hydrochloride
CID 171245657
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
2-(3,4-dimethoxyphenyl)-1-(5-nitrofuran-2-yl)ethanamine
CID 61080311
2-amino-3-hydroxy-3-(5-nitrofuran-2-yl)propanoic acid
CID 66206757
(S)-cyclobutyl-(5-nitrofuran-2-yl)methanamine;hydrochloride
CID 171217872
(R)-(5-nitrofuran-2-yl)-(oxan-4-yl)methanamine
CID 131293376
2-[(1S)-1-amino-3,3-difluoropropyl]-4-nitrophenol
CID 171312782
(5-nitrofuran-2-yl)methanamine
CID 13211642
2-(1-methoxyethyl)-5-nitrofuran
CID 145237926

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine (CID 171313434) is (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine is N[C@H](CC(F)F)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
The InChIKey is XSMVQZDGCGAQNR-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-6(9)3-4(10)5-1-2-7(14-5)11(12)13/h1-2,4,6H,3,10H2/t4-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine?
(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine has a molecular weight of 206.15 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine is sourced from PubChem (CID 171313434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).