4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol

C8H17F3N2O — CID 129296828

IUPAC4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCCN(CC(O)CCN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-13(6-8(9,10)11)5-7(14)3-4-12/h7,14H,2-6,12H2,1H3
InChIKeyMHBGBIFXAIUAHU-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds6

About 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol

4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol (PubChem CID 129296828) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
PubChem CID129296828
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCCN(CC(O)CCN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-13(6-8(9,10)11)5-7(14)3-4-12/h7,14H,2-6,12H2,1H3
InChIKeyMHBGBIFXAIUAHU-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The IUPAC name of 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol (CID 129296828) is 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The canonical SMILES for 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol is CCN(CC(O)CCN)CC(F)(F)F.
What is the InChIKey of 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The InChIKey is MHBGBIFXAIUAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-2-13(6-8(9,10)11)5-7(14)3-4-12/h7,14H,2-6,12H2,1H3.
What are the key properties of 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol is sourced from PubChem (CID 129296828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).