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-ol

C16H18F12O2 — CID 21053320

IUPAC1,1,1,3,3,3-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-ol
SMILESCC1C(C)C2C(CC(O)(C(F)(F)F)C(F)(F)F)CC1C2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H18F12O2/c1-5-6(2)9-7(4-11(29,13(17,18)19)14(20,21)22)3-8(5)10(9)12(30,15(23,24)25)16(26,27)28/h5-10,29-30H,3-4H2,1-2H3
InChIKeyALJQHFVMXFFVRX-UHFFFAOYSA-N
MW470.29 g/mol
LogP5.24
Rot. Bonds3

About 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-ol

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-ol (PubChem CID 21053320) 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-[[7-(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-[[7-(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 CID21053320
Molecular FormulaC16H18F12O2
Molecular Weight470.29 g/mol
Exact Mass470.11
IUPAC Name1,1,1,3,3,3-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-ol
SMILESCC1C(C)C2C(CC(O)(C(F)(F)F)C(F)(F)F)CC1C2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H18F12O2/c1-5-6(2)9-7(4-11(29,13(17,18)19)14(20,21)22)3-8(5)10(9)12(30,15(23,24)25)16(26,27)28/h5-10,29-30H,3-4H2,1-2H3
InChIKeyALJQHFVMXFFVRX-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 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-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-ol?
The IUPAC name of 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-ol (CID 21053320) is 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-ol.
What is the SMILES notation for 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-ol?
The canonical SMILES for 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-ol is CC1C(C)C2C(CC(O)(C(F)(F)F)C(F)(F)F)CC1C2C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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-ol?
The InChIKey is ALJQHFVMXFFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F12O2/c1-5-6(2)9-7(4-11(29,13(17,18)19)14(20,21)22)3-8(5)10(9)12(30,15(23,24)25)16(26,27)28/h5-10,29-30H,3-4H2,1-2H3.
What are the key properties of 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-ol?
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-ol has a molecular weight of 470.29 g/mol, XLogP of 5.24, 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-[[7-(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 21053320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).