2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol

C8H17F3N2O — CID 64826486

IUPAC2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
SMILESCCN(CC(F)(F)F)CC(C)(N)CO
InChIInChI=1S/C8H17F3N2O/c1-3-13(5-8(9,10)11)4-7(2,12)6-14/h14H,3-6,12H2,1-2H3
InChIKeySYNGCMSQBPDSBR-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol

2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol (PubChem CID 64826486) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
PubChem CID64826486
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
SMILESCCN(CC(F)(F)F)CC(C)(N)CO
InChIInChI=1S/C8H17F3N2O/c1-3-13(5-8(9,10)11)4-7(2,12)6-14/h14H,3-6,12H2,1-2H3
InChIKeySYNGCMSQBPDSBR-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol (CID 64826486) is 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol is CCN(CC(F)(F)F)CC(C)(N)CO.
What is the InChIKey of 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol?
The InChIKey is SYNGCMSQBPDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-3-13(5-8(9,10)11)4-7(2,12)6-14/h14H,3-6,12H2,1-2H3.
What are the key properties of 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol?
2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 64826486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).