bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene

C14H12F12O2 — CID 22506486

IUPACbis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
SMILESC=Cc1ccccc1.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8.2C3H2F6O/c1-2-8-6-4-3-5-7-8;2*4-2(5,6)1(10)3(7,8)9/h2-7H,1H2;2*1,10H
InChIKeyYLNOLZNGKLLLQF-UHFFFAOYSA-N
MW440.22 g/mol
LogP5.27
Rot. Bonds1

About bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene

bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene (PubChem CID 22506486) has the molecular formula C14H12F12O2 and a molecular weight of 440.22 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
PubChem CID22506486
Molecular FormulaC14H12F12O2
Molecular Weight440.22 g/mol
Exact Mass440.06
IUPAC Namebis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
SMILESC=Cc1ccccc1.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8.2C3H2F6O/c1-2-8-6-4-3-5-7-8;2*4-2(5,6)1(10)3(7,8)9/h2-7H,1H2;2*1,10H
InChIKeyYLNOLZNGKLLLQF-UHFFFAOYSA-N
XLogP5.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.22
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene 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-hexafluoropropan-2-ol);styrene?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene (CID 22506486) is bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene is C=Cc1ccccc1.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene?
The InChIKey is YLNOLZNGKLLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.2C3H2F6O/c1-2-8-6-4-3-5-7-8;2*4-2(5,6)1(10)3(7,8)9/h2-7H,1H2;2*1,10H.
What are the key properties of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene?
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene has a molecular weight of 440.22 g/mol, XLogP of 5.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene is sourced from PubChem (CID 22506486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).