2-[2-(trifluoromethyl)phenyl]acetyl bromide

C9H6BrF3O — CID 141376906

IUPAC2-[2-(trifluoromethyl)phenyl]acetyl bromide
SMILESO=C(Br)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H6BrF3O/c10-8(14)5-6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2
InChIKeyRZCNBGWOQQCKEK-UHFFFAOYSA-N
MW267.04 g/mol
LogP3.17
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]acetyl bromide

2-[2-(trifluoromethyl)phenyl]acetyl bromide (PubChem CID 141376906) has the molecular formula C9H6BrF3O and a molecular weight of 267.04 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]acetyl bromide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]acetyl bromide
PubChem CID141376906
Molecular FormulaC9H6BrF3O
Molecular Weight267.04 g/mol
Exact Mass265.96
IUPAC Name2-[2-(trifluoromethyl)phenyl]acetyl bromide
SMILESO=C(Br)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H6BrF3O/c10-8(14)5-6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2
InChIKeyRZCNBGWOQQCKEK-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.04
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
methyl 2-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 18370722
1-[2-(trifluoromethyl)phenyl]hexan-3-one
CID 64505702
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 86065127
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119346109
2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid
CID 43093007
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]thiourea
CID 90874503

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]acetyl bromide?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]acetyl bromide (CID 141376906) is 2-[2-(trifluoromethyl)phenyl]acetyl bromide.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]acetyl bromide?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]acetyl bromide is O=C(Br)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]acetyl bromide?
The InChIKey is RZCNBGWOQQCKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O/c10-8(14)5-6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]acetyl bromide?
2-[2-(trifluoromethyl)phenyl]acetyl bromide has a molecular weight of 267.04 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]acetyl bromide is sourced from PubChem (CID 141376906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).