N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide

C10H18F2N2O2 — CID 107479484

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-7-8(2-3-13-7)10(16)14(4-5-15)6-9(11)12/h7-9,13,15H,2-6H2,1H3
InChIKeyKDGGRQFJKDKPGB-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.07
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 107479484) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID107479484
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H18F2N2O2/c1-7-8(2-3-13-7)10(16)14(4-5-15)6-9(11)12/h7-9,13,15H,2-6H2,1H3
InChIKeyKDGGRQFJKDKPGB-UHFFFAOYSA-N
XLogP0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.07
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)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide (CID 107479484) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is KDGGRQFJKDKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-7-8(2-3-13-7)10(16)14(4-5-15)6-9(11)12/h7-9,13,15H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.07, 5 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)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).