1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

C12H22F2N2O2 — CID 111116498

IUPAC1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCCN(CC(F)F)CC(O)CN1CCCC1=O
InChIInChI=1S/C12H22F2N2O2/c1-2-5-15(9-11(13)14)7-10(17)8-16-6-3-4-12(16)18/h10-11,17H,2-9H2,1H3
InChIKeyFVITUKUDKBNVOD-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.95
Rot. Bonds8

About 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116498) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116498
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCCN(CC(F)F)CC(O)CN1CCCC1=O
InChIInChI=1S/C12H22F2N2O2/c1-2-5-15(9-11(13)14)7-10(17)8-16-6-3-4-12(16)18/h10-11,17H,2-9H2,1H3
InChIKeyFVITUKUDKBNVOD-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116498) is 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is CCCN(CC(F)F)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is FVITUKUDKBNVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-2-5-15(9-11(13)14)7-10(17)8-16-6-3-4-12(16)18/h10-11,17H,2-9H2,1H3.
What are the key properties of 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).