[6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate

C18H24F6O3 — CID 21053331

IUPAC[6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate
SMILESCC(=O)OC1(C(F)(F)F)CC2C3CC(C(C)C3C)C2CC(O)(C(F)(F)F)C1
InChIInChI=1S/C18H24F6O3/c1-8-9(2)12-4-11(8)13-5-15(26,17(19,20)21)7-16(6-14(12)13,18(22,23)24)27-10(3)25/h8-9,11-14,26H,4-7H2,1-3H3
InChIKeyLNOGVRQXKUVYOE-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.48
Rot. Bonds1

About [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate

[6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate (PubChem CID 21053331) has the molecular formula C18H24F6O3 and a molecular weight of 402.38 g/mol. Its IUPAC name is [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate.

Molecular Properties

Compound Name[6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate
PubChem CID21053331
Molecular FormulaC18H24F6O3
Molecular Weight402.38 g/mol
Exact Mass402.16
IUPAC Name[6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate
SMILESCC(=O)OC1(C(F)(F)F)CC2C3CC(C(C)C3C)C2CC(O)(C(F)(F)F)C1
InChIInChI=1S/C18H24F6O3/c1-8-9(2)12-4-11(8)13-5-15(26,17(19,20)21)7-16(6-14(12)13,18(22,23)24)27-10(3)25/h8-9,11-14,26H,4-7H2,1-3H3
InChIKeyLNOGVRQXKUVYOE-UHFFFAOYSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate with MolForge

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Related Compounds

[2-[[3-[2-Acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 21053293
[1,1,1,3,3,3-Hexafluoro-2-[[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-yl] acetate
CID 21053298
[1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-yl] acetate
CID 21053299
[1,1,1,3,3,3-Hexafluoro-2-[[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-yl] acetate
CID 21053302
10,11-Dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecane-4,6-diol
CID 21053330
6-(Methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol
CID 21053332
[2-[[3-[2-Acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 21063569
[2-[[5,6-Diethyl-1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 21063581
[2-[5,6-Diethyl-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 21063582
[2-[[5,6-Diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 21063583
[2-[[5,6-Dimethyl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 57806659
[2-[[3-[2-Acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate
CID 57806686

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate?
The IUPAC name of [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate (CID 21053331) is [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate.
What is the SMILES notation for [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate?
The canonical SMILES for [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate is CC(=O)OC1(C(F)(F)F)CC2C3CC(C(C)C3C)C2CC(O)(C(F)(F)F)C1.
What is the InChIKey of [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate?
The InChIKey is LNOGVRQXKUVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O3/c1-8-9(2)12-4-11(8)13-5-15(26,17(19,20)21)7-16(6-14(12)13,18(22,23)24)27-10(3)25/h8-9,11-14,26H,4-7H2,1-3H3.
What are the key properties of [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate?
[6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate has a molecular weight of 402.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-10,11-dimethyl-4,6-bis(trifluoromethyl)-4-tricyclo[7.2.1.02,8]dodecanyl] acetate is sourced from PubChem (CID 21053331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).