bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol

C21H14F18O3 — CID 161340983

IUPACbis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C9H6F6O.C3H2F6O/c2*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;4-2(5,6)1(10)3(7,8)9/h2*1-5,16H;1,10H
InChIKeyVMQSXSURSBOPDV-UHFFFAOYSA-N
MW656.30 g/mol
LogP7.47
Rot. Bonds2

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

bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 161340983) has the molecular formula C21H14F18O3 and a molecular weight of 656.30 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID161340983
Molecular FormulaC21H14F18O3
Molecular Weight656.30 g/mol
Exact Mass656.07
IUPAC Namebis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C9H6F6O.C3H2F6O/c2*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;4-2(5,6)1(10)3(7,8)9/h2*1-5,16H;1,10H
InChIKeyVMQSXSURSBOPDV-UHFFFAOYSA-N
XLogP7.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.30
LogP ≤ 57.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
CID 10708008
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol
CID 151590259
1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
CID 22506486
1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol
CID 175242120
2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
CID 10520428
1,1,1,3,3,3-hexafluoro-2-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
CID 134882623
1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol
CID 20792423
CID 87058750
CID 87058750

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol (CID 161340983) is bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is VMQSXSURSBOPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H6F6O.C3H2F6O/c2*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;4-2(5,6)1(10)3(7,8)9/h2*1-5,16H;1,10H.
What are the key properties of bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol?
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 656.30 g/mol, XLogP of 7.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 161340983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).