2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene

C9H6Br2F4O — CID 83232718

IUPAC2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
SMILESFc1ccc(OCC(Br)C(F)(F)F)cc1Br
InChIInChI=1S/C9H6Br2F4O/c10-6-3-5(1-2-7(6)12)16-4-8(11)9(13,14)15/h1-3,8H,4H2
InChIKeyQERWIBMTCFTTNT-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.29
Rot. Bonds3

About 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene

2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene (PubChem CID 83232718) has the molecular formula C9H6Br2F4O and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
PubChem CID83232718
Molecular FormulaC9H6Br2F4O
Molecular Weight365.95 g/mol
Exact Mass363.87
IUPAC Name2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
SMILESFc1ccc(OCC(Br)C(F)(F)F)cc1Br
InChIInChI=1S/C9H6Br2F4O/c10-6-3-5(1-2-7(6)12)16-4-8(11)9(13,14)15/h1-3,8H,4H2
InChIKeyQERWIBMTCFTTNT-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 54.29
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

2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
4-(2-bromo-3,3,3-trifluoropropoxy)-2-fluoro-1-methylbenzene
CID 107169098
1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene
CID 64756891
6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
CID 64757499
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
5-(2-bromo-3,3,3-trifluoropropoxy)-1,3-benzodioxole
CID 64757101
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
(3-bromo-4-fluorophenoxy)methyl-trifluoroboranuide
CID 83234936
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
1-(2-bromo-3,3,3-trifluoropropoxy)-3-propan-2-ylbenzene
CID 64758716
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene (CID 83232718) is 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene is Fc1ccc(OCC(Br)C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene?
The InChIKey is QERWIBMTCFTTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F4O/c10-6-3-5(1-2-7(6)12)16-4-8(11)9(13,14)15/h1-3,8H,4H2.
What are the key properties of 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene?
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene has a molecular weight of 365.95 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene is sourced from PubChem (CID 83232718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).