3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol

C15H25F3O2 — CID 58205733

IUPAC3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCC(C)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2
InChIInChI=1S/C15H25F3O2/c1-4-9(2)20-13-7-10-5-11(12(13)6-10)8-14(3,19)15(16,17)18/h9-13,19H,4-8H2,1-3H3
InChIKeyRHJUXMABXZDNHV-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.92
Rot. Bonds5

About 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 58205733) has the molecular formula C15H25F3O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID58205733
Molecular FormulaC15H25F3O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCC(C)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2
InChIInChI=1S/C15H25F3O2/c1-4-9(2)20-13-7-10-5-11(12(13)6-10)8-14(3,19)15(16,17)18/h9-13,19H,4-8H2,1-3H3
InChIKeyRHJUXMABXZDNHV-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 58205733) is 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol is CCC(C)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2.
What is the InChIKey of 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is RHJUXMABXZDNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O2/c1-4-9(2)20-13-7-10-5-11(12(13)6-10)8-14(3,19)15(16,17)18/h9-13,19H,4-8H2,1-3H3.
What are the key properties of 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 294.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-butan-2-yloxy-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 58205733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).