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

C11H24F2N2O — CID 107484769

IUPAC2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)NCCCN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-11(2,3)14-5-4-6-15(7-8-16)9-10(12)13/h10,14,16H,4-9H2,1-3H3
InChIKeyPJTLKNFUDLXPNU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.32
Rot. Bonds8

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

2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484769) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484769
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)NCCCN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-11(2,3)14-5-4-6-15(7-8-16)9-10(12)13/h10,14,16H,4-9H2,1-3H3
InChIKeyPJTLKNFUDLXPNU-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol (CID 107484769) is 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol is CC(C)(C)NCCCN(CCO)CC(F)F.
What is the InChIKey of 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is PJTLKNFUDLXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2O/c1-11(2,3)14-5-4-6-15(7-8-16)9-10(12)13/h10,14,16H,4-9H2,1-3H3.
What are the key properties of 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 238.32 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).