2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol

C8H16F3NO — CID 63237195

IUPAC2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
SMILESCN(CCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C8H16F3NO/c1-7(2,13)6-12(3)5-4-8(9,10)11/h13H,4-6H2,1-3H3
InChIKeyPUKMGPQUWFPTFS-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol

2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol (PubChem CID 63237195) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
PubChem CID63237195
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
SMILESCN(CCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C8H16F3NO/c1-7(2,13)6-12(3)5-4-8(9,10)11/h13H,4-6H2,1-3H3
InChIKeyPUKMGPQUWFPTFS-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

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CID 148496931
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CID 162436311
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol (CID 63237195) is 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol is CN(CCC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The InChIKey is PUKMGPQUWFPTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,13)6-12(3)5-4-8(9,10)11/h13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol is sourced from PubChem (CID 63237195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).