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

C10H20F2N2O — CID 107484779

IUPAC2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CCCNC1CC1)CC(F)F
InChIInChI=1S/C10H20F2N2O/c11-10(12)8-14(6-7-15)5-1-4-13-9-2-3-9/h9-10,13,15H,1-8H2
InChIKeyWURFBZDVAKTGFT-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.69
Rot. Bonds9

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

2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484779) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484779
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CCCNC1CC1)CC(F)F
InChIInChI=1S/C10H20F2N2O/c11-10(12)8-14(6-7-15)5-1-4-13-9-2-3-9/h9-10,13,15H,1-8H2
InChIKeyWURFBZDVAKTGFT-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.69
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-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol (CID 107484779) is 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol is OCCN(CCCNC1CC1)CC(F)F.
What is the InChIKey of 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is WURFBZDVAKTGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c11-10(12)8-14(6-7-15)5-1-4-13-9-2-3-9/h9-10,13,15H,1-8H2.
What are the key properties of 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol?
2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).