N-fluoro-N-nitroethylamine

C2H5FN2O2 — CID 129811386

IUPACN-fluoro-2-nitroethanamine
SMILESC(C[N+](=O)[O-])NF
InChIInChI=1S/C2H5FN2O2/c3-4-1-2-5(6)7/h4H,1-2H2
InChIKeyNBBOXMSRIXPOCR-UHFFFAOYSA-N
MW108.07 g/mol
LogP-0.40
Rot. Bonds2

About N-fluoro-N-nitroethylamine

N-fluoro-N-nitroethylamine (PubChem CID 129811386) has the molecular formula C2H5FN2O2 and a molecular weight of 108.07 g/mol. Its IUPAC name is N-fluoro-2-nitroethanamine.

Molecular Properties

Compound NameN-fluoro-N-nitroethylamine
PubChem CID129811386
Molecular FormulaC2H5FN2O2
Molecular Weight108.07 g/mol
Exact Mass108.03
IUPAC NameN-fluoro-2-nitroethanamine
SMILESC(C[N+](=O)[O-])NF
InChIInChI=1S/C2H5FN2O2/c3-4-1-2-5(6)7/h4H,1-2H2
InChIKeyNBBOXMSRIXPOCR-UHFFFAOYSA-N
XLogP-0.40
TPSA57.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity61

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Nitroethanamine
CID 11378445
2,2-Dinitroethan-1-amine
CID 15180700
1-Fluoro-2,2-dinitroethanamine
CID 20481524
N,N'-(1-Amino-2-nitroethane-1,2-diyl)bis(N-fluorohypofluorous amide)
CID 53440224
N-(2-nitroethyl)hydroxylamine
CID 10441659
(2-Aminoethylamino) nitrite
CID 57242126
1-Nitroethane-1,2-diamine
CID 85668396
(2-Aminoethylamino) nitrite;palladium
CID 87405376
1,1-Ethanediamine, 2-nitro-
CID 87642160
(2-Aminoethylamino) nitrate;palladium
CID 87666888
2-Nitroethanamine;hydrochloride
CID 88381727
N-hydroxy-2-nitrosoethanamine oxide
CID 163778904

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-nitroethylamine?
The IUPAC name of N-fluoro-N-nitroethylamine (CID 129811386) is N-fluoro-2-nitroethanamine.
What is the SMILES notation for N-fluoro-N-nitroethylamine?
The canonical SMILES for N-fluoro-N-nitroethylamine is C(C[N+](=O)[O-])NF.
What is the InChIKey of N-fluoro-N-nitroethylamine?
The InChIKey is NBBOXMSRIXPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FN2O2/c3-4-1-2-5(6)7/h4H,1-2H2.
What are the key properties of N-fluoro-N-nitroethylamine?
N-fluoro-N-nitroethylamine has a molecular weight of 108.07 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-nitroethylamine is sourced from PubChem (CID 129811386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).