2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C12H11BrF6O — CID 76847648

IUPAC2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Br
InChIInChI=1S/C12H11BrF6O/c1-6(2)8-5-7(3-4-9(8)13)10(20,11(14,15)16)12(17,18)19/h3-6,20H,1-2H3
InChIKeyHHPLKNPOGKFTKV-UHFFFAOYSA-N
MW365.11 g/mol
LogP4.88
Rot. Bonds2

About 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 76847648) has the molecular formula C12H11BrF6O and a molecular weight of 365.11 g/mol. Its IUPAC name is 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID76847648
Molecular FormulaC12H11BrF6O
Molecular Weight365.11 g/mol
Exact Mass363.99
IUPAC Name2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Br
InChIInChI=1S/C12H11BrF6O/c1-6(2)8-5-7(3-4-9(8)13)10(20,11(14,15)16)12(17,18)19/h3-6,20H,1-2H3
InChIKeyHHPLKNPOGKFTKV-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 76847648) is 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is HHPLKNPOGKFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF6O/c1-6(2)8-5-7(3-4-9(8)13)10(20,11(14,15)16)12(17,18)19/h3-6,20H,1-2H3.
What are the key properties of 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 365.11 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 76847648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).