N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C12H22F2N2O2 — CID 107479496

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(CCO)CC(F)F)CCNC1
InChIInChI=1S/C12H22F2N2O2/c1-9(2)12(3-4-15-8-12)11(18)16(5-6-17)7-10(13)14/h9-10,15,17H,3-8H2,1-2H3
InChIKeyZPXPVVAURNBMKR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.71
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 107479496) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID107479496
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(CCO)CC(F)F)CCNC1
InChIInChI=1S/C12H22F2N2O2/c1-9(2)12(3-4-15-8-12)11(18)16(5-6-17)7-10(13)14/h9-10,15,17H,3-8H2,1-2H3
InChIKeyZPXPVVAURNBMKR-UHFFFAOYSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 107479496) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(CCO)CC(F)F)CCNC1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZPXPVVAURNBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-9(2)12(3-4-15-8-12)11(18)16(5-6-17)7-10(13)14/h9-10,15,17H,3-8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107479496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).