2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol

C29H22F12O7 — CID 157328008

About 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol (PubChem CID 157328008) has the molecular formula C29H22F12O7 and a molecular weight of 710.46 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol.

Molecular Properties

• Compound Name: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol
• PubChem CID: 157328008
• Molecular Formula: C29H22F12O7
• Molecular Weight: 710.46 g/mol
• Exact Mass: 710.12
• IUPAC Name: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol
• SMILES: CC(O)(c1cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(O)c2cc1O)C(F)(F)F.CC(O)(c1cc2cccc(O)c2cc1O)C(F)(F)F
• InChI: InChI=1S/C16H11F9O4.C13H11F3O3/c1-12(28,14(17,18)19)9-4-6-2-3-8(11(27)7(6)5-10(9)26)13(29,15(20,21)22)16(23,24)25;1-12(19,13(14,15)16)9-5-7-3-2-4-10(17)8(7)6-11(9)18/h2-5,26-29H,1H3;2-6,17-19H,1H3
• InChIKey: BEYMPZSUHCEYNP-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 141.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.46
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol?

The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol (CID 157328008) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol.

What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol?

The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol is CC(O)(c1cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(O)c2cc1O)C(F)(F)F.CC(O)(c1cc2cccc(O)c2cc1O)C(F)(F)F.

What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol?

The InChIKey is BEYMPZSUHCEYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F9O4.C13H11F3O3/c1-12(28,14(17,18)19)9-4-6-2-3-8(11(27)7(6)5-10(9)26)13(29,15(20,21)22)16(23,24)25;1-12(19,13(14,15)16)9-5-7-3-2-4-10(17)8(7)6-11(9)18/h2-5,26-29H,1H3;2-6,17-19H,1H3.

What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol?

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol has a molecular weight of 710.46 g/mol, XLogP of 7.35, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol;6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)naphthalene-1,7-diol is sourced from PubChem (CID 157328008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).