3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C9H14F6O2 — CID 59030181

IUPAC3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESCCC(C)OC(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-4-5(2)17-6(3)7(16,8(10,11)12)9(13,14)15/h5-6,16H,4H2,1-3H3
InChIKeyQXEPBANOFZXDQP-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.05
Rot. Bonds4

About 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 59030181) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID59030181
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESCCC(C)OC(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-4-5(2)17-6(3)7(16,8(10,11)12)9(13,14)15/h5-6,16H,4H2,1-3H3
InChIKeyQXEPBANOFZXDQP-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 59030181) is 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is CCC(C)OC(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is QXEPBANOFZXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c1-4-5(2)17-6(3)7(16,8(10,11)12)9(13,14)15/h5-6,16H,4H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 268.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 59030181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).