(2-fluoro-6-nitrophenyl) methyl carbonate

C8H6FNO5 — CID 67247258

IUPAC(2-fluoro-6-nitrophenyl) methyl carbonate
SMILESCOC(=O)Oc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO5/c1-14-8(11)15-7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3
InChIKeyAHOWHFIHSKYERM-UHFFFAOYSA-N
MW215.14 g/mol
LogP1.88
Rot. Bonds2

About (2-fluoro-6-nitrophenyl) methyl carbonate

(2-fluoro-6-nitrophenyl) methyl carbonate (PubChem CID 67247258) has the molecular formula C8H6FNO5 and a molecular weight of 215.14 g/mol. Its IUPAC name is (2-fluoro-6-nitrophenyl) methyl carbonate.

Molecular Properties

Compound Name(2-fluoro-6-nitrophenyl) methyl carbonate
PubChem CID67247258
Molecular FormulaC8H6FNO5
Molecular Weight215.14 g/mol
Exact Mass215.02
IUPAC Name(2-fluoro-6-nitrophenyl) methyl carbonate
SMILESCOC(=O)Oc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H6FNO5/c1-14-8(11)15-7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3
InChIKeyAHOWHFIHSKYERM-UHFFFAOYSA-N
XLogP1.88
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 51.88
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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
dimethyl 2-(2-fluoro-6-nitrophenyl)propanedioate
CID 24824335
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215
2-(2-fluoro-6-nitrophenoxy)benzaldehyde
CID 104831883
1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
3-(2-fluoro-6-nitrophenoxy)-2-methyl-2-(methylamino)propanoic acid
CID 104832396
5-[1-(2-fluoro-6-nitrophenoxy)ethyl]furan-2-carboxylic acid
CID 104831546
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813
3-(2-fluoro-6-nitrophenoxy)-2-methylpropane-1-thiol
CID 104832559
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-nitrophenyl) methyl carbonate?
The IUPAC name of (2-fluoro-6-nitrophenyl) methyl carbonate (CID 67247258) is (2-fluoro-6-nitrophenyl) methyl carbonate.
What is the SMILES notation for (2-fluoro-6-nitrophenyl) methyl carbonate?
The canonical SMILES for (2-fluoro-6-nitrophenyl) methyl carbonate is COC(=O)Oc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of (2-fluoro-6-nitrophenyl) methyl carbonate?
The InChIKey is AHOWHFIHSKYERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO5/c1-14-8(11)15-7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3.
What are the key properties of (2-fluoro-6-nitrophenyl) methyl carbonate?
(2-fluoro-6-nitrophenyl) methyl carbonate has a molecular weight of 215.14 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-nitrophenyl) methyl carbonate is sourced from PubChem (CID 67247258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).