2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H18F6O — CID 175090687

IUPAC2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)(C)c1ccccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H18F6O/c1-16(2,3)15-7-5-4-6-14(15)12-8-10-13(11-9-12)17(26,18(20,21)22)19(23,24)25/h4-11,26H,1-3H3
InChIKeyMWGPSXFWJZOWTH-UHFFFAOYSA-N
MW376.34 g/mol
LogP5.96
Rot. Bonds2

About 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 175090687) has the molecular formula C19H18F6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID175090687
Molecular FormulaC19H18F6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)(C)c1ccccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H18F6O/c1-16(2,3)15-7-5-4-6-14(15)12-8-10-13(11-9-12)17(26,18(20,21)22)19(23,24)25/h4-11,26H,1-3H3
InChIKeyMWGPSXFWJZOWTH-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 175090687) is 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)(C)c1ccccc1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is MWGPSXFWJZOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O/c1-16(2,3)15-7-5-4-6-14(15)12-8-10-13(11-9-12)17(26,18(20,21)22)19(23,24)25/h4-11,26H,1-3H3.
What are the key properties of 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 376.34 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 175090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).