3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

C8H16F3NO2 — CID 66274789

IUPAC3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCNC(CCO)COC(C)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(8(9,10)11)14-5-7(12-2)3-4-13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyZQXMUGOALFEADZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.92
Rot. Bonds6

About 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (PubChem CID 66274789) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
PubChem CID66274789
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCNC(CCO)COC(C)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(8(9,10)11)14-5-7(12-2)3-4-13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyZQXMUGOALFEADZ-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The IUPAC name of 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (CID 66274789) is 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is CNC(CCO)COC(C)C(F)(F)F.
What is the InChIKey of 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The InChIKey is ZQXMUGOALFEADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(8(9,10)11)14-5-7(12-2)3-4-13/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 66274789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).