2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol

C10H20F3NO — CID 61045279

IUPAC2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
SMILESCC(C)CCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)4-5-9(3,7-15)14-6-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyGMKDTHDNKWCTKQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.33
Rot. Bonds6

About 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol

2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol (PubChem CID 61045279) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
PubChem CID61045279
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
SMILESCC(C)CCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)4-5-9(3,7-15)14-6-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyGMKDTHDNKWCTKQ-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
The IUPAC name of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol (CID 61045279) is 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
The canonical SMILES for 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol is CC(C)CCC(C)(CO)NCC(F)(F)F.
What is the InChIKey of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
The InChIKey is GMKDTHDNKWCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(2)4-5-9(3,7-15)14-6-10(11,12)13/h8,14-15H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol is sourced from PubChem (CID 61045279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).