3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one

C8H13F2NO2 — CID 129208153

IUPAC3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one
SMILESCOC(C)(C)N1CCC(F)(F)C1=O
InChIInChI=1S/C8H13F2NO2/c1-7(2,13-3)11-5-4-8(9,10)6(11)12/h4-5H2,1-3H3
InChIKeyCOWXSJNJPVPRGP-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.24
Rot. Bonds2

About 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one

3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one (PubChem CID 129208153) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one
PubChem CID129208153
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one
SMILESCOC(C)(C)N1CCC(F)(F)C1=O
InChIInChI=1S/C8H13F2NO2/c1-7(2,13-3)11-5-4-8(9,10)6(11)12/h4-5H2,1-3H3
InChIKeyCOWXSJNJPVPRGP-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one (CID 129208153) is 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one is COC(C)(C)N1CCC(F)(F)C1=O.
What is the InChIKey of 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one?
The InChIKey is COWXSJNJPVPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-7(2,13-3)11-5-4-8(9,10)6(11)12/h4-5H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one?
3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one has a molecular weight of 193.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methoxypropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 129208153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).