2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol

C11H24F2N2O — CID 107484781

IUPAC2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol
SMILESCC(CNC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-9(2)14-6-10(3)7-15(4-5-16)8-11(12)13/h9-11,14,16H,4-8H2,1-3H3
InChIKeyAJSOPCWLQDCFNF-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.18
Rot. Bonds9

About 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol

2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol (PubChem CID 107484781) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol
PubChem CID107484781
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol
SMILESCC(CNC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-9(2)14-6-10(3)7-15(4-5-16)8-11(12)13/h9-11,14,16H,4-8H2,1-3H3
InChIKeyAJSOPCWLQDCFNF-UHFFFAOYSA-N
XLogP1.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol (CID 107484781) is 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol is CC(CNC(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol?
The InChIKey is AJSOPCWLQDCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2O/c1-9(2)14-6-10(3)7-15(4-5-16)8-11(12)13/h9-11,14,16H,4-8H2,1-3H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol has a molecular weight of 238.32 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol is sourced from PubChem (CID 107484781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).