fluoro (2-nitrophenyl)methyl carbonate

C8H6FNO5 — CID 141134298

IUPACfluoro (2-nitrophenyl)methyl carbonate
SMILESO=C(OF)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO5/c9-15-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
InChIKeyUKLLXPYEPCTMIT-UHFFFAOYSA-N
MW215.14 g/mol
LogP2.13
Rot. Bonds3

About fluoro (2-nitrophenyl)methyl carbonate

fluoro (2-nitrophenyl)methyl carbonate (PubChem CID 141134298) has the molecular formula C8H6FNO5 and a molecular weight of 215.14 g/mol. Its IUPAC name is fluoro (2-nitrophenyl)methyl carbonate.

Molecular Properties

Compound Namefluoro (2-nitrophenyl)methyl carbonate
PubChem CID141134298
Molecular FormulaC8H6FNO5
Molecular Weight215.14 g/mol
Exact Mass215.02
IUPAC Namefluoro (2-nitrophenyl)methyl carbonate
SMILESO=C(OF)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO5/c9-15-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
InChIKeyUKLLXPYEPCTMIT-UHFFFAOYSA-N
XLogP2.13
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Benzenemethanol, 4-nitro-, 1-acetate
CID 12094
Benzene, 1-(dimethoxymethyl)-2-nitro-
CID 140718
3-Nitrobenzaldehyde dimethyl acetal
CID 266777
Methyl 4-nitrobenzyl ether
CID 316176
4-Nitrobenzyl chloroformate
CID 78205
p-Nitrobenzyl butyrate
CID 147605
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
4-Nitrobenzylidene di(acetate)
CID 76234
2-Nitrobenzylidene di(acetate)
CID 80670
3-Nitrobenzylidene di(acetate)
CID 97678
2-Nitrobenzyl acetate
CID 131771
m-Nitrobenzyl acetate
CID 155620

Frequently Asked Questions

What is the IUPAC name of fluoro (2-nitrophenyl)methyl carbonate?
The IUPAC name of fluoro (2-nitrophenyl)methyl carbonate (CID 141134298) is fluoro (2-nitrophenyl)methyl carbonate.
What is the SMILES notation for fluoro (2-nitrophenyl)methyl carbonate?
The canonical SMILES for fluoro (2-nitrophenyl)methyl carbonate is O=C(OF)OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of fluoro (2-nitrophenyl)methyl carbonate?
The InChIKey is UKLLXPYEPCTMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO5/c9-15-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2.
What are the key properties of fluoro (2-nitrophenyl)methyl carbonate?
fluoro (2-nitrophenyl)methyl carbonate has a molecular weight of 215.14 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (2-nitrophenyl)methyl carbonate is sourced from PubChem (CID 141134298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).