1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol

C10H14F6O2 — CID 166810430

IUPAC1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol
SMILESC=C(C)COC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-6(2)5-18-7(3,4)8(17,9(11,12)13)10(14,15)16/h17H,1,5H2,2-4H3
InChIKeyKHTMTYAIFGGGBX-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.21
Rot. Bonds4

About 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol

1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol (PubChem CID 166810430) has the molecular formula C10H14F6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol
PubChem CID166810430
Molecular FormulaC10H14F6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol
SMILESC=C(C)COC(C)(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-6(2)5-18-7(3,4)8(17,9(11,12)13)10(14,15)16/h17H,1,5H2,2-4H3
InChIKeyKHTMTYAIFGGGBX-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol (CID 166810430) is 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol is C=C(C)COC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol?
The InChIKey is KHTMTYAIFGGGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O2/c1-6(2)5-18-7(3,4)8(17,9(11,12)13)10(14,15)16/h17H,1,5H2,2-4H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol?
1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol has a molecular weight of 280.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-3-(2-methylprop-2-enoxy)-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 166810430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).