3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol

C8H17F3N2O — CID 64898162

IUPAC3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCNC(CCO)CN(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-12-7(3-4-14)5-13(2)6-8(9,10)11/h7,12,14H,3-6H2,1-2H3
InChIKeyXHKGSKAQSZFJHK-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.45
Rot. Bonds6

About 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol

3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol (PubChem CID 64898162) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
PubChem CID64898162
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCNC(CCO)CN(C)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-12-7(3-4-14)5-13(2)6-8(9,10)11/h7,12,14H,3-6H2,1-2H3
InChIKeyXHKGSKAQSZFJHK-UHFFFAOYSA-N
XLogP0.45
TPSA35.50 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The IUPAC name of 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol (CID 64898162) is 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol is CNC(CCO)CN(C)CC(F)(F)F.
What is the InChIKey of 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The InChIKey is XHKGSKAQSZFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-12-7(3-4-14)5-13(2)6-8(9,10)11/h7,12,14H,3-6H2,1-2H3.
What are the key properties of 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol has a molecular weight of 214.23 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol is sourced from PubChem (CID 64898162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).