6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol

C11H22F3NO — CID 66001086

IUPAC6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol
SMILESCC(C)CNCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)8-15-7-6-10(3,16)4-5-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyJHCNZTOHQIHDKP-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.72
Rot. Bonds7

About 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol

6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol (PubChem CID 66001086) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol
PubChem CID66001086
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol
SMILESCC(C)CNCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)8-15-7-6-10(3,16)4-5-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyJHCNZTOHQIHDKP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol?
The IUPAC name of 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol (CID 66001086) is 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol?
The canonical SMILES for 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol is CC(C)CNCCC(C)(O)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol?
The InChIKey is JHCNZTOHQIHDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)8-15-7-6-10(3,16)4-5-11(12,13)14/h9,15-16H,4-8H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol?
6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-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 6,6,6-trifluoro-3-methyl-1-(2-methylpropylamino)hexan-3-ol is sourced from PubChem (CID 66001086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).