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-ol

C16H18F12O2 — CID 21053316

IUPAC1,1,1,3,3,3-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-ol
SMILESCC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C(O)(C(F)(F)F)C(F)(F)F)(C2)C1C
InChIInChI=1S/C16H18F12O2/c1-6-7(2)10(12(30,15(23,24)25)16(26,27)28)4-8(6)3-9(10)5-11(29,13(17,18)19)14(20,21)22/h6-9,29-30H,3-5H2,1-2H3
InChIKeyJPDMJQNWUDPYNC-UHFFFAOYSA-N
MW470.29 g/mol
LogP5.39
Rot. Bonds3

About 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-ol

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-ol (PubChem CID 21053316) has the molecular formula C16H18F12O2 and a molecular weight of 470.29 g/mol. Its IUPAC name is 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-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-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-ol
PubChem CID21053316
Molecular FormulaC16H18F12O2
Molecular Weight470.29 g/mol
Exact Mass470.11
IUPAC Name1,1,1,3,3,3-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-ol
SMILESCC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C(O)(C(F)(F)F)C(F)(F)F)(C2)C1C
InChIInChI=1S/C16H18F12O2/c1-6-7(2)10(12(30,15(23,24)25)16(26,27)28)4-8(6)3-9(10)5-11(29,13(17,18)19)14(20,21)22/h6-9,29-30H,3-5H2,1-2H3
InChIKeyJPDMJQNWUDPYNC-UHFFFAOYSA-N
XLogP5.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.29
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 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-ol with MolForge

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Related Compounds

2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465
1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743871
1,1,1,3,3,3-Hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743873
1,1,1,3,3,3-Hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 20756242
2-[(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20756279
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-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759706
1,1,1,3,3,3-Hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 20764961
1,1,1,3,3,3-Hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20764962
2-[(4,5-Dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20771584
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

Frequently Asked Questions

What is the IUPAC name of 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-ol?
The IUPAC name of 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-ol (CID 21053316) is 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-ol.
What is the SMILES notation for 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-ol?
The canonical SMILES for 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-ol is CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C(O)(C(F)(F)F)C(F)(F)F)(C2)C1C.
What is the InChIKey of 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-ol?
The InChIKey is JPDMJQNWUDPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F12O2/c1-6-7(2)10(12(30,15(23,24)25)16(26,27)28)4-8(6)3-9(10)5-11(29,13(17,18)19)14(20,21)22/h6-9,29-30H,3-5H2,1-2H3.
What are the key properties of 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-ol?
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-ol has a molecular weight of 470.29 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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-ol is sourced from PubChem (CID 21053316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).