2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol

C11H22F2N2O — CID 176601617

IUPAC2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC1NCCC1(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(2)15(7-8-16)6-3-10-11(12,13)4-5-14-10/h9-10,14,16H,3-8H2,1-2H3
InChIKeyLTUZJLVYKUPLSH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds6

About 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol

2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol (PubChem CID 176601617) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
PubChem CID176601617
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC1NCCC1(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(2)15(7-8-16)6-3-10-11(12,13)4-5-14-10/h9-10,14,16H,3-8H2,1-2H3
InChIKeyLTUZJLVYKUPLSH-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601165
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601761
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
CID 176600925
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
CID 176601714
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614
N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176601004
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
CID 65002178
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol (CID 176601617) is 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CCC1NCCC1(F)F.
What is the InChIKey of 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
The InChIKey is LTUZJLVYKUPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-9(2)15(7-8-16)6-3-10-11(12,13)4-5-14-10/h9-10,14,16H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 176601617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).