6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol

C10H16F3N3O — CID 107046460

IUPAC6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol
SMILESCn1cc(CC(C)(O)CCCC(F)(F)F)nn1
InChIInChI=1S/C10H16F3N3O/c1-9(17,4-3-5-10(11,12)13)6-8-7-16(2)15-14-8/h7,17H,3-6H2,1-2H3
InChIKeyZOBSZFZCERVOMH-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.84
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol

6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol (PubChem CID 107046460) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol
PubChem CID107046460
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol
SMILESCn1cc(CC(C)(O)CCCC(F)(F)F)nn1
InChIInChI=1S/C10H16F3N3O/c1-9(17,4-3-5-10(11,12)13)6-8-7-16(2)15-14-8/h7,17H,3-6H2,1-2H3
InChIKeyZOBSZFZCERVOMH-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol (CID 107046460) is 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol is Cn1cc(CC(C)(O)CCCC(F)(F)F)nn1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol?
The InChIKey is ZOBSZFZCERVOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-9(17,4-3-5-10(11,12)13)6-8-7-16(2)15-14-8/h7,17H,3-6H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol?
6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol is sourced from PubChem (CID 107046460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).