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

C13H9BrF4O — CID 121307933

IUPAC2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol
SMILESOC(CF)(c1ccc(Br)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H9BrF4O/c14-11-6-5-10(8-3-1-2-4-9(8)11)12(19,7-15)13(16,17)18/h1-6,19H,7H2
InChIKeyOCZDFOKVVOOUMT-UHFFFAOYSA-N
MW337.11 g/mol
LogP4.32
Rot. Bonds2

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

2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol (PubChem CID 121307933) has the molecular formula C13H9BrF4O and a molecular weight of 337.11 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol
PubChem CID121307933
Molecular FormulaC13H9BrF4O
Molecular Weight337.11 g/mol
Exact Mass335.98
IUPAC Name2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol
SMILESOC(CF)(c1ccc(Br)c2ccccc12)C(F)(F)F
InChIInChI=1S/C13H9BrF4O/c14-11-6-5-10(8-3-1-2-4-9(8)11)12(19,7-15)13(16,17)18/h1-6,19H,7H2
InChIKeyOCZDFOKVVOOUMT-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 54.32
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
1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol
CID 358622
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
3-bromo-1,1-difluoro-1H,1aH,6H,7H,7aH-cyclopropa[a]naphthalen-1a-ol
CID 139022838
(1S,2R)-1-(6-bromonaphthalen-2-yl)-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
CID 165415767

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol (CID 121307933) is 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol is OC(CF)(c1ccc(Br)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol?
The InChIKey is OCZDFOKVVOOUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4O/c14-11-6-5-10(8-3-1-2-4-9(8)11)12(19,7-15)13(16,17)18/h1-6,19H,7H2.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol?
2-(4-bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol has a molecular weight of 337.11 g/mol, XLogP of 4.32, 2 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-tetrafluoropropan-2-ol is sourced from PubChem (CID 121307933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).