1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one

C9H15F2NO2 — CID 58792665

IUPAC1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one
SMILESCC(COC(F)CF)N1CCCC1=O
InChIInChI=1S/C9H15F2NO2/c1-7(6-14-8(11)5-10)12-4-2-3-9(12)13/h7-8H,2-6H2,1H3
InChIKeyODRQWPAMGKHFPD-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.28
Rot. Bonds5

About 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one

1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one (PubChem CID 58792665) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one
PubChem CID58792665
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one
SMILESCC(COC(F)CF)N1CCCC1=O
InChIInChI=1S/C9H15F2NO2/c1-7(6-14-8(11)5-10)12-4-2-3-9(12)13/h7-8H,2-6H2,1H3
InChIKeyODRQWPAMGKHFPD-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one (CID 58792665) is 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one is CC(COC(F)CF)N1CCCC1=O.
What is the InChIKey of 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one?
The InChIKey is ODRQWPAMGKHFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-7(6-14-8(11)5-10)12-4-2-3-9(12)13/h7-8H,2-6H2,1H3.
What are the key properties of 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one?
1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one has a molecular weight of 207.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-difluoroethoxy)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 58792665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).