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

C10H18F2N2O2 — CID 111116568

IUPAC1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCN(CC(F)F)CC(O)CN1CCCC1=O
InChIInChI=1S/C10H18F2N2O2/c1-13(7-9(11)12)5-8(15)6-14-4-2-3-10(14)16/h8-9,15H,2-7H2,1H3
InChIKeyUCCYFAFYSFNMKF-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.17
Rot. Bonds6

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

1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116568) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116568
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCN(CC(F)F)CC(O)CN1CCCC1=O
InChIInChI=1S/C10H18F2N2O2/c1-13(7-9(11)12)5-8(15)6-14-4-2-3-10(14)16/h8-9,15H,2-7H2,1H3
InChIKeyUCCYFAFYSFNMKF-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.17
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(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116568) is 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is CN(CC(F)F)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is UCCYFAFYSFNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-13(7-9(11)12)5-8(15)6-14-4-2-3-10(14)16/h8-9,15H,2-7H2,1H3.
What are the key properties of 1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[2,2-difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 236.26 g/mol, XLogP of 0.17, 6 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(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).