2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H5BrF6O — CID 12707843

IUPAC2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccccc1Br)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5BrF6O/c10-6-4-2-1-3-5(6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKeyXXIHOAKCDPPBFG-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.76
Rot. Bonds1

About 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 12707843) has the molecular formula C9H5BrF6O and a molecular weight of 323.03 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID12707843
Molecular FormulaC9H5BrF6O
Molecular Weight323.03 g/mol
Exact Mass321.94
IUPAC Name2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccccc1Br)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5BrF6O/c10-6-4-2-1-3-5(6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKeyXXIHOAKCDPPBFG-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 12707843) is 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccccc1Br)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is XXIHOAKCDPPBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF6O/c10-6-4-2-1-3-5(6)7(17,8(11,12)13)9(14,15)16/h1-4,17H.
What are the key properties of 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 323.03 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 12707843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).