1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol

C13H10F12O2 — CID 157119135

IUPAC1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
SMILESCC(O)(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F6O.C4H4F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;1-2(11,3(5,6)7)4(8,9)10/h1-5,16H;11H,1H3
InChIKeyAHTHCKLMYAKJCW-UHFFFAOYSA-N
MW426.20 g/mol
LogP4.86
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol (PubChem CID 157119135) has the molecular formula C13H10F12O2 and a molecular weight of 426.20 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
PubChem CID157119135
Molecular FormulaC13H10F12O2
Molecular Weight426.20 g/mol
Exact Mass426.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
SMILESCC(O)(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F6O.C4H4F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;1-2(11,3(5,6)7)4(8,9)10/h1-5,16H;11H,1H3
InChIKeyAHTHCKLMYAKJCW-UHFFFAOYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.20
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol with MolForge

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Related Compounds

1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
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-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
1,1,1,3,3-pentafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 156598959
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);methanol;naphthalene
CID 158482046
4,4-dimethyl-2,3-diphenylpentane-2,3-diol
CID 174973746
1,1,1,3,3,3-hexafluoro-2-(3-phenylphenyl)propan-2-ol
CID 151590259
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
2,2,4,4,4-pentafluoro-3-hydroxy-1,3-diphenylbutan-1-one
CID 10520428
1,1-difluoroethylbenzene
CID 10942535
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]phenyl]propan-2-ol
CID 10134172

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol (CID 157119135) is 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol is CC(O)(C(F)(F)F)C(F)(F)F.OC(c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol?
The InChIKey is AHTHCKLMYAKJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O.C4H4F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;1-2(11,3(5,6)7)4(8,9)10/h1-5,16H;11H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol?
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol has a molecular weight of 426.20 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 157119135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).