2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane

C15H22F6O — CID 58205688

IUPAC2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C15H22F6O/c1-7(2)22-12(5,15(19,20)21)13(16)10-6-11(14(13,17)18)9(4)8(10)3/h7-11H,6H2,1-5H3
InChIKeyIUZLMKMJCVEMRO-UHFFFAOYSA-N
MW332.33 g/mol
LogP5.00
Rot. Bonds3

About 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane

2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 58205688) has the molecular formula C15H22F6O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID58205688
Molecular FormulaC15H22F6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC Name2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F
InChIInChI=1S/C15H22F6O/c1-7(2)22-12(5,15(19,20)21)13(16)10-6-11(14(13,17)18)9(4)8(10)3/h7-11H,6H2,1-5H3
InChIKeyIUZLMKMJCVEMRO-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 55.00
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
5-[2-(Ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20743942
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-[(3,5-Dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20759715
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
2-[3-(Ethoxymethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane
CID 20781752

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane (CID 58205688) is 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane is CC(C)OC(C)(C(F)(F)F)C1(F)C2CC(C(C)C2C)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is IUZLMKMJCVEMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O/c1-7(2)22-12(5,15(19,20)21)13(16)10-6-11(14(13,17)18)9(4)8(10)3/h7-11H,6H2,1-5H3.
What are the key properties of 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane?
2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 332.33 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58205688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).