(4-fluoro-3-nitrophenyl)methyl formate

C8H6FNO4 — CID 91721516

IUPAC(4-fluoro-3-nitrophenyl)methyl formate
SMILESO=COCc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6FNO4/c9-7-2-1-6(4-14-5-11)3-8(7)10(12)13/h1-3,5H,4H2
InChIKeyFJGKHWVRZIWVIY-UHFFFAOYSA-N
MW199.14 g/mol
LogP1.41
Rot. Bonds4

About (4-fluoro-3-nitrophenyl)methyl formate

(4-fluoro-3-nitrophenyl)methyl formate (PubChem CID 91721516) has the molecular formula C8H6FNO4 and a molecular weight of 199.14 g/mol. Its IUPAC name is (4-fluoro-3-nitrophenyl)methyl formate.

Molecular Properties

Compound Name(4-fluoro-3-nitrophenyl)methyl formate
PubChem CID91721516
Molecular FormulaC8H6FNO4
Molecular Weight199.14 g/mol
Exact Mass199.03
IUPAC Name(4-fluoro-3-nitrophenyl)methyl formate
SMILESO=COCc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6FNO4/c9-7-2-1-6(4-14-5-11)3-8(7)10(12)13/h1-3,5H,4H2
InChIKeyFJGKHWVRZIWVIY-UHFFFAOYSA-N
XLogP1.41
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
HT1042
CID 325597
Benzene, 1-(dimethoxymethyl)-2-nitro-
CID 140718
3-Nitrobenzaldehyde dimethyl acetal
CID 266777
Methyl 4-fluoro-3-nitrobenzoate
CID 5219721
4-Nitrobenzyl chloroformate
CID 78205
Ethyl 4-fluoro-3-nitrobenzoate
CID 21277355
4-Fluoro-3-nitrobenzyl alcohol
CID 4167587
Methyl 2-Fluoro-5-nitrobenzoate
CID 11217860
2,4-Dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester
CID 891391
3-Nitrobenzylidene di(acetate)
CID 97678
2-Nitrobenzyl acetate
CID 131771

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-nitrophenyl)methyl formate?
The IUPAC name of (4-fluoro-3-nitrophenyl)methyl formate (CID 91721516) is (4-fluoro-3-nitrophenyl)methyl formate.
What is the SMILES notation for (4-fluoro-3-nitrophenyl)methyl formate?
The canonical SMILES for (4-fluoro-3-nitrophenyl)methyl formate is O=COCc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (4-fluoro-3-nitrophenyl)methyl formate?
The InChIKey is FJGKHWVRZIWVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO4/c9-7-2-1-6(4-14-5-11)3-8(7)10(12)13/h1-3,5H,4H2.
What are the key properties of (4-fluoro-3-nitrophenyl)methyl formate?
(4-fluoro-3-nitrophenyl)methyl formate has a molecular weight of 199.14 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-nitrophenyl)methyl formate is sourced from PubChem (CID 91721516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).