methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate

C19H17F2NO4 — CID 90620074

IUPACmethyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccccc1F
InChIInChI=1S/C19H17F2NO4/c1-25-19(24)16-10-12(26-17-9-5-4-8-15(17)21)11-22(16)18(23)13-6-2-3-7-14(13)20/h2-9,12,16H,10-11H2,1H3
InChIKeyNCORZTDKXQOOTM-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.80
Rot. Bonds4

About methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate

methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate (PubChem CID 90620074) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
PubChem CID90620074
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Namemethyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccccc1F
InChIInChI=1S/C19H17F2NO4/c1-25-19(24)16-10-12(26-17-9-5-4-8-15(17)21)11-22(16)18(23)13-6-2-3-7-14(13)20/h2-9,12,16H,10-11H2,1H3
InChIKeyNCORZTDKXQOOTM-UHFFFAOYSA-N
XLogP2.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate (CID 90620074) is methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1ccccc1F.
What is the InChIKey of methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The InChIKey is NCORZTDKXQOOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO4/c1-25-19(24)16-10-12(26-17-9-5-4-8-15(17)21)11-22(16)18(23)13-6-2-3-7-14(13)20/h2-9,12,16H,10-11H2,1H3.
What are the key properties of methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate has a molecular weight of 361.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).