1-(2-fluoroethyl)-2,4-dinitrobenzene

C8H7FN2O4 — CID 14809005

IUPAC1-(2-fluoroethyl)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(CCF)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7FN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-2,5H,3-4H2
InChIKeyPCAFYFLFAIGWCA-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-fluoroethyl)-2,4-dinitrobenzene

1-(2-fluoroethyl)-2,4-dinitrobenzene (PubChem CID 14809005) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,4-dinitrobenzene.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,4-dinitrobenzene
PubChem CID14809005
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name1-(2-fluoroethyl)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(CCF)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7FN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-2,5H,3-4H2
InChIKeyPCAFYFLFAIGWCA-UHFFFAOYSA-N
XLogP2.02
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.02
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

2-(2,4-dinitrophenyl)acetonitrile
CID 5129344
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
5-(2,4-dinitrophenyl)pentan-1-ol
CID 86720802
1-(methylsulfanylmethyl)-2,4-dinitrobenzene
CID 20768719
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
(2,4-dinitrophenyl)methanesulfonyl chloride
CID 18411991
(2,4-dinitrophenyl)methanesulfinyl chloride
CID 141082202
1-(3-chloropentyl)-2,4-dinitrobenzene
CID 66221149
1-(2,4-dinitrophenyl)-4,4-dimethylpentan-3-ol
CID 66223299
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471
1-cyclopropyl-3-(2,4-dinitrophenyl)propan-1-ol
CID 66223940

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,4-dinitrobenzene?
The IUPAC name of 1-(2-fluoroethyl)-2,4-dinitrobenzene (CID 14809005) is 1-(2-fluoroethyl)-2,4-dinitrobenzene.
What is the SMILES notation for 1-(2-fluoroethyl)-2,4-dinitrobenzene?
The canonical SMILES for 1-(2-fluoroethyl)-2,4-dinitrobenzene is O=[N+]([O-])c1ccc(CCF)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(2-fluoroethyl)-2,4-dinitrobenzene?
The InChIKey is PCAFYFLFAIGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-2,5H,3-4H2.
What are the key properties of 1-(2-fluoroethyl)-2,4-dinitrobenzene?
1-(2-fluoroethyl)-2,4-dinitrobenzene has a molecular weight of 214.15 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,4-dinitrobenzene is sourced from PubChem (CID 14809005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).