1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol

C15H10F6O — CID 151590259

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol
SMILESOC(c1cccc(-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H10F6O/c16-14(17,18)13(22,15(19,20)21)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,22H
InChIKeyQIIXJYQOVBRAII-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.67
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol (PubChem CID 151590259) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol
PubChem CID151590259
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol
SMILESOC(c1cccc(-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H10F6O/c16-14(17,18)13(22,15(19,20)21)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,22H
InChIKeyQIIXJYQOVBRAII-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89424064
1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
CID 89211813
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
CID 161340983
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol;bis(prop-2-enoic acid)
CID 86739459
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
tri(azulen-2-yl)methanol
CID 101223557
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol;bis(2-methylprop-2-enoic acid)
CID 87392148
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
CID 166059803
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 162347175
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol (CID 151590259) is 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol is OC(c1cccc(-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol?
The InChIKey is QIIXJYQOVBRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c16-14(17,18)13(22,15(19,20)21)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,22H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol has a molecular weight of 320.23 g/mol, XLogP of 4.67, 2 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-phenylphenyl)propan-2-ol is sourced from PubChem (CID 151590259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).