4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene

C14H9BrF4O — CID 60628071

IUPAC4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFc1cc(Br)ccc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF4O/c15-11-5-4-9(13(16)7-11)8-20-12-3-1-2-10(6-12)14(17,18)19/h1-7H,8H2
InChIKeyRNMPYTGFIIQVPS-UHFFFAOYSA-N
MW349.12 g/mol
LogP5.19
Rot. Bonds3

About 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene

4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene (PubChem CID 60628071) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
PubChem CID60628071
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
SMILESFc1cc(Br)ccc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF4O/c15-11-5-4-9(13(16)7-11)8-20-12-3-1-2-10(6-12)14(17,18)19/h1-7H,8H2
InChIKeyRNMPYTGFIIQVPS-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.12
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63501140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene (CID 60628071) is 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene is Fc1cc(Br)ccc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
The InChIKey is RNMPYTGFIIQVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c15-11-5-4-9(13(16)7-11)8-20-12-3-1-2-10(6-12)14(17,18)19/h1-7H,8H2.
What are the key properties of 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene?
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene has a molecular weight of 349.12 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 60628071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).