9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane

C16H25F3O — CID 59422972

IUPAC9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane
SMILESCCC(C)(OC1CC2CC1C1CCCCC21)C(F)(F)F
InChIInChI=1S/C16H25F3O/c1-3-15(2,16(17,18)19)20-14-9-10-8-13(14)12-7-5-4-6-11(10)12/h10-14H,3-9H2,1-2H3
InChIKeyZVXLQTNIBKFTOD-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.95
Rot. Bonds3

About 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane

9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane (PubChem CID 59422972) has the molecular formula C16H25F3O and a molecular weight of 290.37 g/mol. Its IUPAC name is 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane
PubChem CID59422972
Molecular FormulaC16H25F3O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane
SMILESCCC(C)(OC1CC2CC1C1CCCCC21)C(F)(F)F
InChIInChI=1S/C16H25F3O/c1-3-15(2,16(17,18)19)20-14-9-10-8-13(14)12-7-5-4-6-11(10)12/h10-14H,3-9H2,1-2H3
InChIKeyZVXLQTNIBKFTOD-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononoxy)-2,3-dimethylbicyclo[2.2.1]heptane
CID 57940005
2,3-Dimethyl-5-(2,2,3,3,4,4,5,5-octafluoropentoxy)bicyclo[2.2.1]heptane
CID 57940022
2-(3,5-Diethyl-3-fluoro-1-methylcyclohexyl)oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 58205766
2-(3,5-Diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane
CID 58205774
2-[(2-Methylpropan-2-yl)oxy]-5-(1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptane
CID 58436012
2,3-Dimethyl-5-(2,2,3,3,4,4,6,6,7,7,8,8,9,9-tetradecafluorononoxy)bicyclo[2.2.1]heptane
CID 59126170
8-(1,1,1-Trifluoro-2-methylbutan-2-yl)oxytricyclo[5.2.1.02,6]decane
CID 59422984
2-[3-(1,1-Difluoroethyl)-5-ethyl-2,2,4-trifluoro-1-(trifluoromethyl)cyclohexyl]oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 60034505
5-(3,3,4,4,5,5,6-Heptafluorohexoxy)-2,3-dimethylbicyclo[2.2.1]heptane
CID 89042486
2-[(2-Methylpropan-2-yl)oxy]-5-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane
CID 89137075
4-(4,4-Difluoropentoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 90913837
2-[3-(1,1-Difluoroethyl)-5-ethyl-2,2-difluoro-1-(trifluoromethyl)cyclohexyl]oxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 91332914

Frequently Asked Questions

What is the IUPAC name of 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane?
The IUPAC name of 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane (CID 59422972) is 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane is CCC(C)(OC1CC2CC1C1CCCCC21)C(F)(F)F.
What is the InChIKey of 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane?
The InChIKey is ZVXLQTNIBKFTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O/c1-3-15(2,16(17,18)19)20-14-9-10-8-13(14)12-7-5-4-6-11(10)12/h10-14H,3-9H2,1-2H3.
What are the key properties of 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane?
9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane has a molecular weight of 290.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1,1-trifluoro-2-methylbutan-2-yl)oxytricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 59422972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).