ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate

C11H19F2NO2 — CID 139322718

IUPACethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(F)(F)CN1CC(C)C
InChIInChI=1S/C11H19F2NO2/c1-4-16-10(15)9-5-11(12,13)7-14(9)6-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyGUDTZSBLANACHT-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.92
Rot. Bonds4

About ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate

ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate (PubChem CID 139322718) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate
PubChem CID139322718
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nameethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(F)(F)CN1CC(C)C
InChIInChI=1S/C11H19F2NO2/c1-4-16-10(15)9-5-11(12,13)7-14(9)6-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyGUDTZSBLANACHT-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate (CID 139322718) is ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CC(F)(F)CN1CC(C)C.
What is the InChIKey of ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate?
The InChIKey is GUDTZSBLANACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-4-16-10(15)9-5-11(12,13)7-14(9)6-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate?
ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate has a molecular weight of 235.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 139322718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).