2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H7BrF6O — CID 121303143

IUPAC2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H7BrF6O/c14-10-6-5-9(7-3-1-2-4-8(7)10)11(21,12(15,16)17)13(18,19)20/h1-6,21H
InChIKeyANGYSZBCEOAOFV-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.91
Rot. Bonds1

About 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 121303143) has the molecular formula C13H7BrF6O and a molecular weight of 373.09 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID121303143
Molecular FormulaC13H7BrF6O
Molecular Weight373.09 g/mol
Exact Mass371.96
IUPAC Name2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H7BrF6O/c14-10-6-5-9(7-3-1-2-4-8(7)10)11(21,12(15,16)17)13(18,19)20/h1-6,21H
InChIKeyANGYSZBCEOAOFV-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-Bromonaphthalen-2-yl)methanol
CID 264948
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23233570
1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol
CID 358622
2-(2-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 12707843
7-Bromo-2-naphthalenemethanol
CID 22240133
(4-Bromonaphthalen-2-yl)methanol
CID 59869315
1-(2-Bromo-5-(trifluoromethyl)phenyl)cyclopropan-1-ol
CID 81619079
1,1-Bis-(p-bromophenyl)-2,2,2-trifluoroethanol
CID 129671667
1-(2-Bromophenyl)-2,2,2-trifluoro-1-phenylethanol
CID 140304502
2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 320088
1-(4-Bromo-3-(trifluoromethyl)phenyl)cyclopropan-1-ol
CID 81697478

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 121303143) is 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(Br)c2ccccc12)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ANGYSZBCEOAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF6O/c14-10-6-5-9(7-3-1-2-4-8(7)10)11(21,12(15,16)17)13(18,19)20/h1-6,21H.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 373.09 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 121303143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).