8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane

C15H23F3O — CID 59422984

IUPAC8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane
SMILESCCC(C)(OC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C15H23F3O/c1-3-14(2,15(16,17)18)19-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13H,3-8H2,1-2H3
InChIKeyPWARDBLPBSYPHG-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.56
Rot. Bonds3

About 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane

8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane (PubChem CID 59422984) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane
PubChem CID59422984
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane
SMILESCCC(C)(OC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C15H23F3O/c1-3-14(2,15(16,17)18)19-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13H,3-8H2,1-2H3
InChIKeyPWARDBLPBSYPHG-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane (CID 59422984) is 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane is CCC(C)(OC1CC2CC1C1CCCC21)C(F)(F)F.
What is the InChIKey of 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane?
The InChIKey is PWARDBLPBSYPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-3-14(2,15(16,17)18)19-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13H,3-8H2,1-2H3.
What are the key properties of 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane?
8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane has a molecular weight of 276.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 59422984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).