1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene

C9H8BrF3O — CID 139813303

IUPAC1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene
SMILESCC(OC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrF3O/c1-6(14-9(11,12)13)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyWIWSJXJWYHKLCR-UHFFFAOYSA-N
MW269.06 g/mol
LogP4.05
Rot. Bonds2

About 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene

1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene (PubChem CID 139813303) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene
PubChem CID139813303
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene
SMILESCC(OC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrF3O/c1-6(14-9(11,12)13)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyWIWSJXJWYHKLCR-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene?
The IUPAC name of 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene (CID 139813303) is 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene is CC(OC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene?
The InChIKey is WIWSJXJWYHKLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c1-6(14-9(11,12)13)7-2-4-8(10)5-3-7/h2-6H,1H3.
What are the key properties of 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene?
1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene has a molecular weight of 269.06 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(trifluoromethoxy)ethyl]benzene is sourced from PubChem (CID 139813303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).