2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C24H34F12O2 — CID 21063611

IUPAC2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCCCOC(CC1CC2C(CC)C(CC)C1C2C(OCCC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H34F12O2/c1-5-9-37-19(21(25,26)27,22(28,29)30)12-13-11-16-14(7-3)15(8-4)17(13)18(16)20(23(31,32)33,24(34,35)36)38-10-6-2/h13-18H,5-12H2,1-4H3
InChIKeyRVGQCNDBARSQCA-UHFFFAOYSA-N
MW582.51 g/mol
LogP8.89
Rot. Bonds11

About 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 21063611) has the molecular formula C24H34F12O2 and a molecular weight of 582.51 g/mol. Its IUPAC name is 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
PubChem CID21063611
Molecular FormulaC24H34F12O2
Molecular Weight582.51 g/mol
Exact Mass582.24
IUPAC Name2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESCCCOC(CC1CC2C(CC)C(CC)C1C2C(OCCC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H34F12O2/c1-5-9-37-19(21(25,26)27,22(28,29)30)12-13-11-16-14(7-3)15(8-4)17(13)18(16)20(23(31,32)33,24(34,35)36)38-10-6-2/h13-18H,5-12H2,1-4H3
InChIKeyRVGQCNDBARSQCA-UHFFFAOYSA-N
XLogP8.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.51
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1,1,1,3,3,3-Hexafluoro-2-(nonoxymethoxy)propan-2-yl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20743880
2-[2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
CID 20743916
2,2,3-Trifluoro-3-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
CID 20743925
2,3-Dimethyl-5-[3,3,3-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20743926
2-Fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxyethoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
CID 20743932
2-Fluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-5,6-dimethylbicyclo[2.2.1]heptane
CID 20743933
5-[2-(Cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20743940
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-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

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 21063611) is 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is CCCOC(CC1CC2C(CC)C(CC)C1C2C(OCCC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is RVGQCNDBARSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F12O2/c1-5-9-37-19(21(25,26)27,22(28,29)30)12-13-11-16-14(7-3)15(8-4)17(13)18(16)20(23(31,32)33,24(34,35)36)38-10-6-2/h13-18H,5-12H2,1-4H3.
What are the key properties of 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 582.51 g/mol, XLogP of 8.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl)-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 21063611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).