bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene

C20H24F12O4 — CID 158482046

IUPACbis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.CO.CO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C4H4F6O.2CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2(11,3(5,6)7)4(8,9)10;2*1-2/h1-8H;2*11H,1H3;2*2H,1H3
InChIKeyHHQCSUFMIBWVGZ-UHFFFAOYSA-N
MW556.38 g/mol
LogP5.78
Rot. Bonds

About bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene

bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene (PubChem CID 158482046) has the molecular formula C20H24F12O4 and a molecular weight of 556.38 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene
PubChem CID158482046
Molecular FormulaC20H24F12O4
Molecular Weight556.38 g/mol
Exact Mass556.15
IUPAC Namebis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.CO.CO.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C4H4F6O.2CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2(11,3(5,6)7)4(8,9)10;2*1-2/h1-8H;2*11H,1H3;2*2H,1H3
InChIKeyHHQCSUFMIBWVGZ-UHFFFAOYSA-N
XLogP5.78
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.38
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene 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 bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene (CID 158482046) is bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene is CC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.CO.CO.c1ccc2ccccc2c1.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene?
The InChIKey is HHQCSUFMIBWVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C4H4F6O.2CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2(11,3(5,6)7)4(8,9)10;2*1-2/h1-8H;2*11H,1H3;2*2H,1H3.
What are the key properties of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene?
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene has a molecular weight of 556.38 g/mol, XLogP of 5.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene is sourced from PubChem (CID 158482046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).