1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

C8H16F3NO — CID 62044322

IUPAC1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-4-7(13)5-12(2)6-8(9,10)11/h7,13H,3-6H2,1-2H3
InChIKeyLJXGFBVANXDKJD-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds5

About 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (PubChem CID 62044322) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
PubChem CID62044322
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-4-7(13)5-12(2)6-8(9,10)11/h7,13H,3-6H2,1-2H3
InChIKeyLJXGFBVANXDKJD-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (CID 62044322) is 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is CCCC(O)CN(C)CC(F)(F)F.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The InChIKey is LJXGFBVANXDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-4-7(13)5-12(2)6-8(9,10)11/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is sourced from PubChem (CID 62044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).