2-fluoroethyl N-(4-nitrophenyl)carbamate

C9H9FN2O4 — CID 86209590

IUPAC2-fluoroethyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OCCF
InChIInChI=1S/C9H9FN2O4/c10-5-6-16-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,11,13)
InChIKeyQKPVLUXQOMUNIR-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.11
Rot. Bonds4

About 2-fluoroethyl N-(4-nitrophenyl)carbamate

2-fluoroethyl N-(4-nitrophenyl)carbamate (PubChem CID 86209590) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-fluoroethyl N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(4-nitrophenyl)carbamate
PubChem CID86209590
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name2-fluoroethyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OCCF
InChIInChI=1S/C9H9FN2O4/c10-5-6-16-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,11,13)
InChIKeyQKPVLUXQOMUNIR-UHFFFAOYSA-N
XLogP2.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.11
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

2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
butyl N-(4-nitrophenyl)carbamate
CID 522878
2-(2,5-dioxopyrrol-1-yl)ethyl N-(4-nitrophenyl)carbamate
CID 71294606
ethyl N-[4-(4-nitrophenyl)phenyl]carbamate
CID 139700668
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
(4-nitrophenyl)methyl N-[4-(chlorodisulfanyl)phenyl]carbamate
CID 21150662
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
2-aminooxy-N-(4-nitrophenyl)acetamide
CID 159220259
[(4-nitrophenyl)-[4-(pentoxycarbonylamino)phenyl]methyl] hydrogen carbonate
CID 71427555
1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea
CID 112696558
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(4-nitrophenyl)carbamate?
The IUPAC name of 2-fluoroethyl N-(4-nitrophenyl)carbamate (CID 86209590) is 2-fluoroethyl N-(4-nitrophenyl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(4-nitrophenyl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1)OCCF.
What is the InChIKey of 2-fluoroethyl N-(4-nitrophenyl)carbamate?
The InChIKey is QKPVLUXQOMUNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-5-6-16-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6H2,(H,11,13).
What are the key properties of 2-fluoroethyl N-(4-nitrophenyl)carbamate?
2-fluoroethyl N-(4-nitrophenyl)carbamate has a molecular weight of 228.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 86209590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).