2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol

C9H20F2N2O — CID 107485661

IUPAC2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol
SMILESCN(C)CCCN(CCO)CC(F)F
InChIInChI=1S/C9H20F2N2O/c1-12(2)4-3-5-13(6-7-14)8-9(10)11/h9,14H,3-8H2,1-2H3
InChIKeyDNEZHWQCLWOUEJ-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.50
Rot. Bonds8

About 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol

2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol (PubChem CID 107485661) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol
PubChem CID107485661
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol
SMILESCN(C)CCCN(CCO)CC(F)F
InChIInChI=1S/C9H20F2N2O/c1-12(2)4-3-5-13(6-7-14)8-9(10)11/h9,14H,3-8H2,1-2H3
InChIKeyDNEZHWQCLWOUEJ-UHFFFAOYSA-N
XLogP0.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol (CID 107485661) is 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol is CN(C)CCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol?
The InChIKey is DNEZHWQCLWOUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-12(2)4-3-5-13(6-7-14)8-9(10)11/h9,14H,3-8H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol has a molecular weight of 210.27 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol is sourced from PubChem (CID 107485661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).