4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol

C10H20F3NO — CID 62623210

IUPAC4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)8(15)5-6-14(4)7-10(11,12)13/h8,15H,5-7H2,1-4H3
InChIKeyDLIZNNILGNQMCZ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds4

About 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol

4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol (PubChem CID 62623210) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol
PubChem CID62623210
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)8(15)5-6-14(4)7-10(11,12)13/h8,15H,5-7H2,1-4H3
InChIKeyDLIZNNILGNQMCZ-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol (CID 62623210) is 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol is CN(CCC(O)C(C)(C)C)CC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol?
The InChIKey is DLIZNNILGNQMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,3)8(15)5-6-14(4)7-10(11,12)13/h8,15H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol?
4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol is sourced from PubChem (CID 62623210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).