1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol

C13H10F12O2 — CID 21243760

IUPAC1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol
SMILESCC1(C(F)(C(O)(F)F)C(F)(F)F)C=CC=C(C(F)(C(O)(F)F)C(F)(F)F)C1
InChIInChI=1S/C13H10F12O2/c1-7(9(15,11(19,20)21)13(24,25)27)4-2-3-6(5-7)8(14,10(16,17)18)12(22,23)26/h2-4,26-27H,5H2,1H3
InChIKeyCSSHPFQOBQYKFN-UHFFFAOYSA-N
MW426.20 g/mol
LogP4.59
Rot. Bonds4

About 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol

1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol (PubChem CID 21243760) has the molecular formula C13H10F12O2 and a molecular weight of 426.20 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol
PubChem CID21243760
Molecular FormulaC13H10F12O2
Molecular Weight426.20 g/mol
Exact Mass426.05
IUPAC Name1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol
SMILESCC1(C(F)(C(O)(F)F)C(F)(F)F)C=CC=C(C(F)(C(O)(F)F)C(F)(F)F)C1
InChIInChI=1S/C13H10F12O2/c1-7(9(15,11(19,20)21)13(24,25)27)4-2-3-6(5-7)8(14,10(16,17)18)12(22,23)26/h2-4,26-27H,5H2,1H3
InChIKeyCSSHPFQOBQYKFN-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.20
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol (CID 21243760) is 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol is CC1(C(F)(C(O)(F)F)C(F)(F)F)C=CC=C(C(F)(C(O)(F)F)C(F)(F)F)C1.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol?
The InChIKey is CSSHPFQOBQYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F12O2/c1-7(9(15,11(19,20)21)13(24,25)27)4-2-3-6(5-7)8(14,10(16,17)18)12(22,23)26/h2-4,26-27H,5H2,1H3.
What are the key properties of 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol?
1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol has a molecular weight of 426.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-2-[5-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-5-methylcyclohexa-1,3-dien-1-yl]propan-1-ol is sourced from PubChem (CID 21243760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).