fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole

C7H11F2N3O2 — CID 176710740

IUPACfluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
SMILESCCF.O=[N+]([O-])c1cnn(CCF)c1
InChIInChI=1S/C5H6FN3O2.C2H5F/c6-1-2-8-4-5(3-7-8)9(10)11;1-2-3/h3-4H,1-2H2;2H2,1H3
InChIKeySPIGQFFAMVLHAQ-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.74
Rot. Bonds3

About fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole

fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole (PubChem CID 176710740) has the molecular formula C7H11F2N3O2 and a molecular weight of 207.18 g/mol. Its IUPAC name is fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole.

Molecular Properties

Compound Namefluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
PubChem CID176710740
Molecular FormulaC7H11F2N3O2
Molecular Weight207.18 g/mol
Exact Mass207.08
IUPAC Namefluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
SMILESCCF.O=[N+]([O-])c1cnn(CCF)c1
InChIInChI=1S/C5H6FN3O2.C2H5F/c6-1-2-8-4-5(3-7-8)9(10)11;1-2-3/h3-4H,1-2H2;2H2,1H3
InChIKeySPIGQFFAMVLHAQ-UHFFFAOYSA-N
XLogP1.74
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
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

1-butyl-4-nitropyrazole
CID 50999673
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
4-nitro-1-octylpyrazole
CID 50999936
4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
CID 154229757
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 138694115
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121
[3-methyl-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 120771644
(1S)-1-(3,5-difluorophenyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]ethanamine
CID 97104074
3-ethyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole
CID 19716399
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533

Frequently Asked Questions

What is the IUPAC name of fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole?
The IUPAC name of fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole (CID 176710740) is fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole.
What is the SMILES notation for fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole?
The canonical SMILES for fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole is CCF.O=[N+]([O-])c1cnn(CCF)c1.
What is the InChIKey of fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole?
The InChIKey is SPIGQFFAMVLHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2.C2H5F/c6-1-2-8-4-5(3-7-8)9(10)11;1-2-3/h3-4H,1-2H2;2H2,1H3.
What are the key properties of fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole?
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole has a molecular weight of 207.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole is sourced from PubChem (CID 176710740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).