4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol

C14H18F6O2 — CID 140501859

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol
SMILESCC1C(C)C2CC1C1C(O)C(C(O)(C(F)(F)F)C(F)(F)F)C21
InChIInChI=1S/C14H18F6O2/c1-4-5(2)7-3-6(4)8-9(7)11(21)10(8)12(22,13(15,16)17)14(18,19)20/h4-11,21-22H,3H2,1-2H3
InChIKeyOTBMBXLDBNELOV-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.99
Rot. Bonds1

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol (PubChem CID 140501859) has the molecular formula C14H18F6O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol
PubChem CID140501859
Molecular FormulaC14H18F6O2
Molecular Weight332.28 g/mol
Exact Mass332.12
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol
SMILESCC1C(C)C2CC1C1C(O)C(C(O)(C(F)(F)F)C(F)(F)F)C21
InChIInChI=1S/C14H18F6O2/c1-4-5(2)7-3-6(4)8-9(7)11(21)10(8)12(22,13(15,16)17)14(18,19)20/h4-11,21-22H,3H2,1-2H3
InChIKeyOTBMBXLDBNELOV-UHFFFAOYSA-N
XLogP2.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol (CID 140501859) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol is CC1C(C)C2CC1C1C(O)C(C(O)(C(F)(F)F)C(F)(F)F)C21.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
The InChIKey is OTBMBXLDBNELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6O2/c1-4-5(2)7-3-6(4)8-9(7)11(21)10(8)12(22,13(15,16)17)14(18,19)20/h4-11,21-22H,3H2,1-2H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol has a molecular weight of 332.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7,8-dimethyltricyclo[4.2.1.02,5]nonan-3-ol is sourced from PubChem (CID 140501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).