2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol

C11H22F3NO — CID 61044923

IUPAC2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
SMILESCCC(C)CC(CC)(CO)NCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-9(3)6-10(5-2,8-16)15-7-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyMGJJJEVOXPCZBV-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.72
Rot. Bonds7

About 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol

2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol (PubChem CID 61044923) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
PubChem CID61044923
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
SMILESCCC(C)CC(CC)(CO)NCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-9(3)6-10(5-2,8-16)15-7-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyMGJJJEVOXPCZBV-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
The IUPAC name of 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol (CID 61044923) is 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol.
What is the SMILES notation for 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
The canonical SMILES for 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol is CCC(C)CC(CC)(CO)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
The InChIKey is MGJJJEVOXPCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-9(3)6-10(5-2,8-16)15-7-11(12,13)14/h9,15-16H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol?
2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol has a molecular weight of 241.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol is sourced from PubChem (CID 61044923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).