1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol

C11H23F3N2O — CID 66336373

IUPAC1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCCN(CC(F)(F)F)CC(C)(O)CNC(C)C
InChIInChI=1S/C11H23F3N2O/c1-5-16(8-11(12,13)14)7-10(4,17)6-15-9(2)3/h9,15,17H,5-8H2,1-4H3
InChIKeyQCSFJINFCBWBCJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds7

About 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66336373) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID66336373
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCCN(CC(F)(F)F)CC(C)(O)CNC(C)C
InChIInChI=1S/C11H23F3N2O/c1-5-16(8-11(12,13)14)7-10(4,17)6-15-9(2)3/h9,15,17H,5-8H2,1-4H3
InChIKeyQCSFJINFCBWBCJ-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 66336373) is 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol is CCN(CC(F)(F)F)CC(C)(O)CNC(C)C.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is QCSFJINFCBWBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-5-16(8-11(12,13)14)7-10(4,17)6-15-9(2)3/h9,15,17H,5-8H2,1-4H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66336373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).