1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene

C10H9Br2F3O — CID 154711398

IUPAC1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
SMILESCOc1ccc(C(Br)(CBr)C(F)(F)F)cc1
InChIInChI=1S/C10H9Br2F3O/c1-16-8-4-2-7(3-5-8)9(12,6-11)10(13,14)15/h2-5H,6H2,1H3
InChIKeyOLUZGYGHXQLLOF-UHFFFAOYSA-N
MW361.98 g/mol
LogP4.24
Rot. Bonds3

About 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene

1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene (PubChem CID 154711398) has the molecular formula C10H9Br2F3O and a molecular weight of 361.98 g/mol. Its IUPAC name is 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
PubChem CID154711398
Molecular FormulaC10H9Br2F3O
Molecular Weight361.98 g/mol
Exact Mass359.90
IUPAC Name1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
SMILESCOc1ccc(C(Br)(CBr)C(F)(F)F)cc1
InChIInChI=1S/C10H9Br2F3O/c1-16-8-4-2-7(3-5-8)9(12,6-11)10(13,14)15/h2-5H,6H2,1H3
InChIKeyOLUZGYGHXQLLOF-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.98
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-[ethoxy(difluoro)methyl]-4-methoxybenzene
CID 102488284
1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene
CID 155895177
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
1-methoxy-4-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156763937
1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720
1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 66204746
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156763397
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene?
The IUPAC name of 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene (CID 154711398) is 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene?
The canonical SMILES for 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene is COc1ccc(C(Br)(CBr)C(F)(F)F)cc1.
What is the InChIKey of 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene?
The InChIKey is OLUZGYGHXQLLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F3O/c1-16-8-4-2-7(3-5-8)9(12,6-11)10(13,14)15/h2-5H,6H2,1H3.
What are the key properties of 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene?
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene has a molecular weight of 361.98 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene is sourced from PubChem (CID 154711398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).