2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane

C11H24F2N2O — CID 172334544

IUPAC2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane
SMILESCC.CN(CCC1C(CCN1)(F)F)CCO
InChIInChI=1S/C9H18F2N2O.C2H6/c1-13(6-7-14)5-2-8-9(10,11)3-4-12-8;1-2/h8,12,14H,2-7H2,1H3;1-2H3
InChIKeyWNINFWMINZRODJ-UHFFFAOYSA-N
MW238.32 g/mol
LogP—
Rot. Bonds5

About 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane

2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane (PubChem CID 172334544) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane.

Molecular Properties

Compound Name2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane
PubChem CID172334544
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane
SMILESCC.CN(CCC1C(CCN1)(F)F)CCO
InChIInChI=1S/C9H18F2N2O.C2H6/c1-13(6-7-14)5-2-8-9(10,11)3-4-12-8;1-2/h8,12,14H,2-7H2,1H3;1-2H3
InChIKeyWNINFWMINZRODJ-UHFFFAOYSA-N
XLogP—
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity178

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1,1,1-Trifluoropropan-2-yl)pyrrolidin-3-yl]amino]ethanol
CID 117709661
2,2-Difluorobutane;pyrrolidin-2-ylmethanol
CID 142268462
1,1,1-Trifluoro-3-[(2-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]propan-2-ol
CID 172205616
2-(3-fluoropyrrolidin-2-yl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334271
2-[Methyl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334324
2-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidin-3-ol
CID 172334380
2-[2-[Methyl-[2-(trifluoromethoxy)ethyl]amino]ethyl]pyrrolidin-3-ol
CID 172334418
N-[2-(3-fluoropyrrolidin-2-yl)ethyl]-N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 172334428
2-[Methyl-[2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172334449
N-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 172334478
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
CID 172334597
2-[Methyl-[5,5,5-trifluoro-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 172334686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane?
The IUPAC name of 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane (CID 172334544) is 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane.
What is the SMILES notation for 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane?
The canonical SMILES for 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane is CC.CN(CCC1C(CCN1)(F)F)CCO.
What is the InChIKey of 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane?
The InChIKey is WNINFWMINZRODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O.C2H6/c1-13(6-7-14)5-2-8-9(10,11)3-4-12-8;1-2/h8,12,14H,2-7H2,1H3;1-2H3.
What are the key properties of 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane?
2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane has a molecular weight of 238.32 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane is sourced from PubChem (CID 172334544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).