1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene

C16H14BrF3O — CID 121456484

IUPAC1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene
SMILESCC(OCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14BrF3O/c1-11(21-10-12-5-7-15(17)8-6-12)13-3-2-4-14(9-13)16(18,19)20/h2-9,11H,10H2,1H3
InChIKeyHQQHBCJLPRXDQE-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.75
Rot. Bonds4

About 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene

1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene (PubChem CID 121456484) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene
PubChem CID121456484
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene
SMILESCC(OCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14BrF3O/c1-11(21-10-12-5-7-15(17)8-6-12)13-3-2-4-14(9-13)16(18,19)20/h2-9,11H,10H2,1H3
InChIKeyHQQHBCJLPRXDQE-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.19
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
2-(4-Bromophenyl)oxolane
CID 14653181
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
1-Bromo-4-(ethoxymethyl)benzene
CID 598187
1-Bromo-4-((propan-2-yloxy)methyl)benzene
CID 21876945
2-(4-Bromophenyl)-2-methyloxetane
CID 84134869
1-Bromo-4-[(trifluoromethoxy) methyl]benzene
CID 121235500
1-Bromo-4-(tert-butoxymethyl)benzene
CID 11096814
1-Bromo-4-(2-iodo-1-methoxyethyl)benzene
CID 11645823
1-Bromo-4-(2-methoxypropan-2-yl)benzene
CID 15072385
4-Bromo-2-fluoro-1-(methoxymethyl)benzene
CID 21647637
1-bromo-4-[(1R)-1-methoxyethyl]benzene
CID 51534482

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene?
The IUPAC name of 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene (CID 121456484) is 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene is CC(OCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene?
The InChIKey is HQQHBCJLPRXDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c1-11(21-10-12-5-7-15(17)8-6-12)13-3-2-4-14(9-13)16(18,19)20/h2-9,11H,10H2,1H3.
What are the key properties of 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene?
1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene has a molecular weight of 359.19 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-[3-(trifluoromethyl)phenyl]ethoxymethyl]benzene is sourced from PubChem (CID 121456484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).