methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate

C11H10FNO4 — CID 141259182

IUPACmethyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H10FNO4/c1-17-10(14)11(5-6-11)7-3-2-4-8(12)9(7)13(15)16/h2-4H,5-6H2,1H3
InChIKeyOSWFYLPNDBMRQG-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.94
Rot. Bonds3

About methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate

methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate (PubChem CID 141259182) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate
PubChem CID141259182
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Namemethyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H10FNO4/c1-17-10(14)11(5-6-11)7-3-2-4-8(12)9(7)13(15)16/h2-4H,5-6H2,1H3
InChIKeyOSWFYLPNDBMRQG-UHFFFAOYSA-N
XLogP1.94
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate (CID 141259182) is methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cccc(F)c2[N+](=O)[O-])CC1.
What is the InChIKey of methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate?
The InChIKey is OSWFYLPNDBMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-17-10(14)11(5-6-11)7-3-2-4-8(12)9(7)13(15)16/h2-4H,5-6H2,1H3.
What are the key properties of methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate?
methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate has a molecular weight of 239.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-2-nitrophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 141259182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).