6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol

C10H20F3NO2 — CID 66003084

IUPAC6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol
SMILESCOCCNCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(15,3-4-10(11,12)13)5-6-14-7-8-16-2/h14-15H,3-8H2,1-2H3
InChIKeyQKGIBJYBKXPOKR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.71
Rot. Bonds8

About 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol

6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol (PubChem CID 66003084) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol
PubChem CID66003084
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol
SMILESCOCCNCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(15,3-4-10(11,12)13)5-6-14-7-8-16-2/h14-15H,3-8H2,1-2H3
InChIKeyQKGIBJYBKXPOKR-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
The IUPAC name of 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol (CID 66003084) is 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
The canonical SMILES for 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol is COCCNCCC(C)(O)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
The InChIKey is QKGIBJYBKXPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(15,3-4-10(11,12)13)5-6-14-7-8-16-2/h14-15H,3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol?
6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol has a molecular weight of 243.27 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(2-methoxyethylamino)-3-methylhexan-3-ol is sourced from PubChem (CID 66003084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).