2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate

C10H9FO4 — CID 175695991

IUPAC2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
SMILESCOC(=O)C(=O)OCc1ccccc1F
InChIInChI=1S/C10H9FO4/c1-14-9(12)10(13)15-6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyXIVQHHSDDRJHMI-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.04
Rot. Bonds2

About 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate

2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate (PubChem CID 175695991) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
PubChem CID175695991
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
SMILESCOC(=O)C(=O)OCc1ccccc1F
InChIInChI=1S/C10H9FO4/c1-14-9(12)10(13)15-6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyXIVQHHSDDRJHMI-UHFFFAOYSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 107565767
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(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
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(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358
(2-fluorophenyl)methyl 2-tert-butylsulfanylacetate
CID 84603150
4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 150795709
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
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(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102

Frequently Asked Questions

What is the IUPAC name of 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate?
The IUPAC name of 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate (CID 175695991) is 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate.
What is the SMILES notation for 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate?
The canonical SMILES for 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate is COC(=O)C(=O)OCc1ccccc1F.
What is the InChIKey of 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate?
The InChIKey is XIVQHHSDDRJHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c1-14-9(12)10(13)15-6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3.
What are the key properties of 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate?
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate has a molecular weight of 212.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate is sourced from PubChem (CID 175695991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).