2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol

C15H12F12O — CID 139965707

IUPAC2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)(C)C(O)c1c(C(F)(F)F)cc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C15H12F12O/c1-11(2,3)10(28)7-5(12(16,17)18)4-6(13(19,20)21)8(14(22,23)24)9(7)15(25,26)27/h4,10,28H,1-3H3
InChIKeyBUIQKWGPANVBKI-UHFFFAOYSA-N
MW436.24 g/mol
LogP6.84
Rot. Bonds1

About 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol

2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 139965707) has the molecular formula C15H12F12O and a molecular weight of 436.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol
PubChem CID139965707
Molecular FormulaC15H12F12O
Molecular Weight436.24 g/mol
Exact Mass436.07
IUPAC Name2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)(C)C(O)c1c(C(F)(F)F)cc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C15H12F12O/c1-11(2,3)10(28)7-5(12(16,17)18)4-6(13(19,20)21)8(14(22,23)24)9(7)15(25,26)27/h4,10,28H,1-3H3
InChIKeyBUIQKWGPANVBKI-UHFFFAOYSA-N
XLogP6.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.24
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol (CID 139965707) is 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol is CC(C)(C)C(O)c1c(C(F)(F)F)cc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is BUIQKWGPANVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F12O/c1-11(2,3)10(28)7-5(12(16,17)18)4-6(13(19,20)21)8(14(22,23)24)9(7)15(25,26)27/h4,10,28H,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol?
2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 436.24 g/mol, XLogP of 6.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 139965707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).