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

C10H21F3N2O — CID 107484789

IUPAC2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)NCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-9(2)14-4-3-5-15(6-7-16)8-10(11,12)13/h9,14,16H,3-8H2,1-2H3
InChIKeyXTMFOHFNVIHITO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.23
Rot. Bonds8

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

2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484789) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484789
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)NCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-9(2)14-4-3-5-15(6-7-16)8-10(11,12)13/h9,14,16H,3-8H2,1-2H3
InChIKeyXTMFOHFNVIHITO-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.23
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-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484789) is 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)NCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is XTMFOHFNVIHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-9(2)14-4-3-5-15(6-7-16)8-10(11,12)13/h9,14,16H,3-8H2,1-2H3.
What are the key properties of 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 242.28 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).