3-diazo-1-(2-fluoroethyl)-1-nitrosourea

C3H4FN5O2 — CID 23336278

IUPAC3-diazo-1-(2-fluoroethyl)-1-nitrosourea
SMILES[N-]=[N+]=NC(=O)N(CCF)N=O
InChIInChI=1S/C3H4FN5O2/c4-1-2-9(8-11)3(10)6-7-5/h1-2H2
InChIKeyHDJGFKVGANUCBP-UHFFFAOYSA-N
MW161.10 g/mol
LogP1.37
Rot. Bonds3

About 3-diazo-1-(2-fluoroethyl)-1-nitrosourea

3-diazo-1-(2-fluoroethyl)-1-nitrosourea (PubChem CID 23336278) has the molecular formula C3H4FN5O2 and a molecular weight of 161.10 g/mol. Its IUPAC name is 3-diazo-1-(2-fluoroethyl)-1-nitrosourea.

Molecular Properties

Compound Name3-diazo-1-(2-fluoroethyl)-1-nitrosourea
PubChem CID23336278
Molecular FormulaC3H4FN5O2
Molecular Weight161.10 g/mol
Exact Mass161.03
IUPAC Name3-diazo-1-(2-fluoroethyl)-1-nitrosourea
SMILES[N-]=[N+]=NC(=O)N(CCF)N=O
InChIInChI=1S/C3H4FN5O2/c4-1-2-9(8-11)3(10)6-7-5/h1-2H2
InChIKeyHDJGFKVGANUCBP-UHFFFAOYSA-N
XLogP1.37
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.10
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-diazo-1-methyl-1-nitrosourea
CID 14478162
N-diazocarbamoyl fluoride
CID 71358879
1-(2-fluoroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]-1-nitrosourea
CID 13401961
2-oxopentanedioyl diazide
CID 142765707
2-[bis(2-azidoethyl)amino]ethanol
CID 91611711
(E)-but-2-enoyl azide
CID 23443326
1-[[carbamoyl(nitroso)amino]methyl]-1-nitrosourea
CID 172967542
2-ethylpropanedioyl diazide
CID 86655983
[bis(2-azido-2-oxoethyl)amino]methylphosphonic acid
CID 142769230
2-[2-azidoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484811
cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
CID 13108219
1-ethyl-1-nitrosourea
CID 159023173

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-(2-fluoroethyl)-1-nitrosourea?
The IUPAC name of 3-diazo-1-(2-fluoroethyl)-1-nitrosourea (CID 23336278) is 3-diazo-1-(2-fluoroethyl)-1-nitrosourea.
What is the SMILES notation for 3-diazo-1-(2-fluoroethyl)-1-nitrosourea?
The canonical SMILES for 3-diazo-1-(2-fluoroethyl)-1-nitrosourea is [N-]=[N+]=NC(=O)N(CCF)N=O.
What is the InChIKey of 3-diazo-1-(2-fluoroethyl)-1-nitrosourea?
The InChIKey is HDJGFKVGANUCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN5O2/c4-1-2-9(8-11)3(10)6-7-5/h1-2H2.
What are the key properties of 3-diazo-1-(2-fluoroethyl)-1-nitrosourea?
3-diazo-1-(2-fluoroethyl)-1-nitrosourea has a molecular weight of 161.10 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-(2-fluoroethyl)-1-nitrosourea is sourced from PubChem (CID 23336278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).