2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol

C12H26F2N2O — CID 107486484

IUPAC2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
SMILESCNC(CCN(CCO)CC(F)F)C(C)(C)C
InChIInChI=1S/C12H26F2N2O/c1-12(2,3)10(15-4)5-6-16(7-8-17)9-11(13)14/h10-11,15,17H,5-9H2,1-4H3
InChIKeyAJVDXNLRPNUYCH-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.57
Rot. Bonds8

About 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol

2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol (PubChem CID 107486484) has the molecular formula C12H26F2N2O and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
PubChem CID107486484
Molecular FormulaC12H26F2N2O
Molecular Weight252.35 g/mol
Exact Mass252.20
IUPAC Name2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
SMILESCNC(CCN(CCO)CC(F)F)C(C)(C)C
InChIInChI=1S/C12H26F2N2O/c1-12(2,3)10(15-4)5-6-16(7-8-17)9-11(13)14/h10-11,15,17H,5-9H2,1-4H3
InChIKeyAJVDXNLRPNUYCH-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol (CID 107486484) is 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol is CNC(CCN(CCO)CC(F)F)C(C)(C)C.
What is the InChIKey of 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
The InChIKey is AJVDXNLRPNUYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2O/c1-12(2,3)10(15-4)5-6-16(7-8-17)9-11(13)14/h10-11,15,17H,5-9H2,1-4H3.
What are the key properties of 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol?
2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol has a molecular weight of 252.35 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol is sourced from PubChem (CID 107486484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).