1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol

C18H26F6O — CID 23520700

IUPAC1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol
SMILESCCCC1CC(C)C2C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C12
InChIInChI=1S/C18H26F6O/c1-3-4-10-5-9(2)14-11-6-12(13(7-11)15(10)14)8-16(25,17(19,20)21)18(22,23)24/h9-15,25H,3-8H2,1-2H3
InChIKeyWSMFKVYUKJCZFS-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.58
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol (PubChem CID 23520700) has the molecular formula C18H26F6O and a molecular weight of 372.39 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol
PubChem CID23520700
Molecular FormulaC18H26F6O
Molecular Weight372.39 g/mol
Exact Mass372.19
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol
SMILESCCCC1CC(C)C2C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C12
InChIInChI=1S/C18H26F6O/c1-3-4-10-5-9(2)14-11-6-12(13(7-11)15(10)14)8-16(25,17(19,20)21)18(22,23)24/h9-15,25H,3-8H2,1-2H3
InChIKeyWSMFKVYUKJCZFS-UHFFFAOYSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol (CID 23520700) is 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol is CCCC1CC(C)C2C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C12.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol?
The InChIKey is WSMFKVYUKJCZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6O/c1-3-4-10-5-9(2)14-11-6-12(13(7-11)15(10)14)8-16(25,17(19,20)21)18(22,23)24/h9-15,25H,3-8H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol has a molecular weight of 372.39 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol is sourced from PubChem (CID 23520700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).