2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

C14H9BrF4O2 — CID 83233328

IUPAC2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESFc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1Br
InChIInChI=1S/C14H9BrF4O2/c15-12-7-11(5-6-13(12)16)20-8-9-1-3-10(4-2-9)21-14(17,18)19/h1-7H,8H2
InChIKeyRPJKTDHWKQYHGK-UHFFFAOYSA-N
MW365.12 g/mol
LogP5.07
Rot. Bonds4

About 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (PubChem CID 83233328) has the molecular formula C14H9BrF4O2 and a molecular weight of 365.12 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
PubChem CID83233328
Molecular FormulaC14H9BrF4O2
Molecular Weight365.12 g/mol
Exact Mass363.97
IUPAC Name2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESFc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1Br
InChIInChI=1S/C14H9BrF4O2/c15-12-7-11(5-6-13(12)16)20-8-9-1-3-10(4-2-9)21-14(17,18)19/h1-7H,8H2
InChIKeyRPJKTDHWKQYHGK-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.12
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
N-[(3-bromo-4-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 28557600
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The IUPAC name of 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (CID 83233328) is 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is Fc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The InChIKey is RPJKTDHWKQYHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O2/c15-12-7-11(5-6-13(12)16)20-8-9-1-3-10(4-2-9)21-14(17,18)19/h1-7H,8H2.
What are the key properties of 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene has a molecular weight of 365.12 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is sourced from PubChem (CID 83233328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).