(1,1-dibromo-2,2,2-trifluoroethyl)benzene

C8H5Br2F3 — CID 12702818

IUPAC(1,1-dibromo-2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)C(Br)(Br)c1ccccc1
InChIInChI=1S/C8H5Br2F3/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h1-5H
InChIKeyXLRPMWUHLKHWST-UHFFFAOYSA-N
MW317.93 g/mol
LogP4.19
Rot. Bonds1

About (1,1-dibromo-2,2,2-trifluoroethyl)benzene

(1,1-dibromo-2,2,2-trifluoroethyl)benzene (PubChem CID 12702818) has the molecular formula C8H5Br2F3 and a molecular weight of 317.93 g/mol. Its IUPAC name is (1,1-dibromo-2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name(1,1-dibromo-2,2,2-trifluoroethyl)benzene
PubChem CID12702818
Molecular FormulaC8H5Br2F3
Molecular Weight317.93 g/mol
Exact Mass315.87
IUPAC Name(1,1-dibromo-2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)C(Br)(Br)c1ccccc1
InChIInChI=1S/C8H5Br2F3/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h1-5H
InChIKeyXLRPMWUHLKHWST-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,2-pentabromoethylbenzene
CID 159349505
azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate
CID 3796459
(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
ethane;bis(trifluoromethylbenzene)
CID 142912000
1,1-difluoroethylbenzene
CID 10942535
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211
[(2R)-1,1,1,2,3-pentafluoropropan-2-yl]benzene
CID 124636792

Frequently Asked Questions

What is the IUPAC name of (1,1-dibromo-2,2,2-trifluoroethyl)benzene?
The IUPAC name of (1,1-dibromo-2,2,2-trifluoroethyl)benzene (CID 12702818) is (1,1-dibromo-2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for (1,1-dibromo-2,2,2-trifluoroethyl)benzene?
The canonical SMILES for (1,1-dibromo-2,2,2-trifluoroethyl)benzene is FC(F)(F)C(Br)(Br)c1ccccc1.
What is the InChIKey of (1,1-dibromo-2,2,2-trifluoroethyl)benzene?
The InChIKey is XLRPMWUHLKHWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F3/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h1-5H.
What are the key properties of (1,1-dibromo-2,2,2-trifluoroethyl)benzene?
(1,1-dibromo-2,2,2-trifluoroethyl)benzene has a molecular weight of 317.93 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dibromo-2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 12702818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).