4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol

C10H8BrF3O3 — CID 130760257

IUPAC4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol
SMILESOc1c(C2OCCO2)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H8BrF3O3/c11-5-3-6(9-16-1-2-17-9)8(15)7(4-5)10(12,13)14/h3-4,9,15H,1-2H2
InChIKeyDTHJMQOBGUECJG-UHFFFAOYSA-N
MW313.07 g/mol
LogP3.22
Rot. Bonds1

About 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol

4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol (PubChem CID 130760257) has the molecular formula C10H8BrF3O3 and a molecular weight of 313.07 g/mol. Its IUPAC name is 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol
PubChem CID130760257
Molecular FormulaC10H8BrF3O3
Molecular Weight313.07 g/mol
Exact Mass311.96
IUPAC Name4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol
SMILESOc1c(C2OCCO2)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H8BrF3O3/c11-5-3-6(9-16-1-2-17-9)8(15)7(4-5)10(12,13)14/h3-4,9,15H,1-2H2
InChIKeyDTHJMQOBGUECJG-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458
4-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 164512753
2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
CID 170873937
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
CID 126576136
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-bromo-6-(trifluoromethyl)phenol;hydrochloride
CID 171255670
2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
CID 160517438
2-[2-bromo-6-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367229
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
2-[(1S)-1-aminoethyl]-4-bromo-6-(trifluoromethyl)phenol;hydrochloride
CID 171255621
4-bromo-3-(1,3-dioxolan-2-yl)phenol;ethane
CID 90901779

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol?
The IUPAC name of 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol (CID 130760257) is 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol is Oc1c(C2OCCO2)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol?
The InChIKey is DTHJMQOBGUECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O3/c11-5-3-6(9-16-1-2-17-9)8(15)7(4-5)10(12,13)14/h3-4,9,15H,1-2H2.
What are the key properties of 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol?
4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol has a molecular weight of 313.07 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol is sourced from PubChem (CID 130760257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).