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

C10H22F2N2O — CID 107484765

IUPAC2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol
SMILESCC(C)NCCCN(CCO)CC(F)F
InChIInChI=1S/C10H22F2N2O/c1-9(2)13-4-3-5-14(6-7-15)8-10(11)12/h9-10,13,15H,3-8H2,1-2H3
InChIKeyKQYBODXWZVRINB-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.93
Rot. Bonds9

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

2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol (PubChem CID 107484765) has the molecular formula C10H22F2N2O and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol
PubChem CID107484765
Molecular FormulaC10H22F2N2O
Molecular Weight224.29 g/mol
Exact Mass224.17
IUPAC Name2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol
SMILESCC(C)NCCCN(CCO)CC(F)F
InChIInChI=1S/C10H22F2N2O/c1-9(2)13-4-3-5-14(6-7-15)8-10(11)12/h9-10,13,15H,3-8H2,1-2H3
InChIKeyKQYBODXWZVRINB-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.93
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-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol (CID 107484765) is 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol is CC(C)NCCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol?
The InChIKey is KQYBODXWZVRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2O/c1-9(2)13-4-3-5-14(6-7-15)8-10(11)12/h9-10,13,15H,3-8H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol?
2-[2,2-difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol has a molecular weight of 224.29 g/mol, XLogP of 0.93, 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-[3-(propan-2-ylamino)propyl]amino]ethanol is sourced from PubChem (CID 107484765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).