2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid

C14H15ClFNO3 — CID 54014763

IUPAC2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
SMILESCC1(ON=C(C(=O)O)c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C14H15ClFNO3/c1-14(7-2-3-8-14)20-17-12(13(18)19)11-9(15)5-4-6-10(11)16/h4-6H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyKUVPNLJWESBJJH-UHFFFAOYSA-N
MW299.73 g/mol
LogP3.62
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid

2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid (PubChem CID 54014763) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
PubChem CID54014763
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
SMILESCC1(ON=C(C(=O)O)c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C14H15ClFNO3/c1-14(7-2-3-8-14)20-17-12(13(18)19)11-9(15)5-4-6-10(11)16/h4-6H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyKUVPNLJWESBJJH-UHFFFAOYSA-N
XLogP3.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid (CID 54014763) is 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid is CC1(ON=C(C(=O)O)c2c(F)cccc2Cl)CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
The InChIKey is KUVPNLJWESBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-14(7-2-3-8-14)20-17-12(13(18)19)11-9(15)5-4-6-10(11)16/h4-6H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid has a molecular weight of 299.73 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid is sourced from PubChem (CID 54014763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).