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

C9H7BrF4O — CID 64756891

IUPAC1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(Br)C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF4O/c10-8(9(12,13)14)5-15-7-3-1-6(11)2-4-7/h1-4,8H,5H2
InChIKeyKDPUJIZPZRVPPZ-UHFFFAOYSA-N
MW287.05 g/mol
LogP3.53
Rot. Bonds3

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

1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene (PubChem CID 64756891) has the molecular formula C9H7BrF4O and a molecular weight of 287.05 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene
PubChem CID64756891
Molecular FormulaC9H7BrF4O
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene
SMILESFc1ccc(OCC(Br)C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF4O/c10-8(9(12,13)14)5-15-7-3-1-6(11)2-4-7/h1-4,8H,5H2
InChIKeyKDPUJIZPZRVPPZ-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 53.53
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-(2-bromo-3,3,3-trifluoropropoxy)-4-propylbenzene
CID 64757902
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
CID 83232718
4-(2-bromo-3,3,3-trifluoropropoxy)-2-fluoro-1-methylbenzene
CID 107169098
6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
CID 64757499
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
5-(2-bromo-3,3,3-trifluoropropoxy)-1,3-benzodioxole
CID 64757101
1-(2-bromo-3,3,3-trifluoropropoxy)-3-propan-2-ylbenzene
CID 64758716
N-[3-(2-bromo-3,3,3-trifluoropropoxy)phenyl]acetamide
CID 64758724
4-(2-bromo-3,3,3-trifluoropropoxy)-2-chloro-1-nitrobenzene
CID 64757700
2-(2-bromo-3,3,3-trifluoropropoxy)benzonitrile
CID 64758929
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene (CID 64756891) is 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene is Fc1ccc(OCC(Br)C(F)(F)F)cc1.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene?
The InChIKey is KDPUJIZPZRVPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O/c10-8(9(12,13)14)5-15-7-3-1-6(11)2-4-7/h1-4,8H,5H2.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene?
1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene has a molecular weight of 287.05 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropoxy)-4-fluorobenzene is sourced from PubChem (CID 64756891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).