5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane

C15H25F3O — CID 58205748

IUPAC5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)(CC1CC2CC1C(C)C2C)C(F)(F)F
InChIInChI=1S/C15H25F3O/c1-5-19-14(4,15(16,17)18)8-12-6-11-7-13(12)10(3)9(11)2/h9-13H,5-8H2,1-4H3
InChIKeyOOFVOSNVYCORPA-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.66
Rot. Bonds4

About 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane

5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 58205748) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
PubChem CID58205748
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCCOC(C)(CC1CC2CC1C(C)C2C)C(F)(F)F
InChIInChI=1S/C15H25F3O/c1-5-19-14(4,15(16,17)18)8-12-6-11-7-13(12)10(3)9(11)2/h9-13H,5-8H2,1-4H3
InChIKeyOOFVOSNVYCORPA-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
CID 20593676
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 20593702
2,5,6-Trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20756283
2,3-Dimethyl-5-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20771576
3,5-Diethyl-8-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]tricyclo[5.2.1.02,6]decane
CID 20771594
2,3-Dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20771651
1,1,1-Trifluoro-4-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butan-2-ol
CID 20781746
2,2,3-Trifluoro-5,6-dimethyl-3-[4,4,4-trifluoro-3-octoxy-3-(trifluoromethyl)butyl]bicyclo[2.2.1]heptane
CID 20781749
5-[2-Ethoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20781757
[3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate
CID 21053303
1-(1,1,1,3,3,3-Hexafluoro-2-propoxypropan-2-yl)-2,3-dimethyl-6-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 21053313

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane (CID 58205748) is 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane is CCOC(C)(CC1CC2CC1C(C)C2C)C(F)(F)F.
What is the InChIKey of 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is OOFVOSNVYCORPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c1-5-19-14(4,15(16,17)18)8-12-6-11-7-13(12)10(3)9(11)2/h9-13H,5-8H2,1-4H3.
What are the key properties of 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane?
5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 278.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58205748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).