2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol

C8H16F2N2O — CID 172334597

IUPAC2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)CC1CC(CN1)(F)F
InChIInChI=1S/C8H16F2N2O/c1-12(2-3-13)5-7-4-8(9,10)6-11-7/h7,11,13H,2-6H2,1H3
InChIKeyQYCAOSRUOZOVNP-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.00
Rot. Bonds4

About 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol

2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol (PubChem CID 172334597) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
PubChem CID172334597
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)CC1CC(CN1)(F)F
InChIInChI=1S/C8H16F2N2O/c1-12(2-3-13)5-7-4-8(9,10)6-11-7/h7,11,13H,2-6H2,1H3
InChIKeyQYCAOSRUOZOVNP-UHFFFAOYSA-N
XLogP0.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol (CID 172334597) is 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol is CN(CCO)CC1CC(CN1)(F)F.
What is the InChIKey of 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol?
The InChIKey is QYCAOSRUOZOVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-12(2-3-13)5-7-4-8(9,10)6-11-7/h7,11,13H,2-6H2,1H3.
What are the key properties of 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol?
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol has a molecular weight of 194.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 172334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).