2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid

C10H8BrF3O2 — CID 162738016

IUPAC2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(Br)c(C(F)(F)F)c(CC(=O)O)c1
InChIInChI=1S/C10H8BrF3O2/c1-5-2-6(4-8(15)16)9(7(11)3-5)10(12,13)14/h2-3H,4H2,1H3,(H,15,16)
InChIKeyVLCFXVAYZZXYDF-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.40
Rot. Bonds2

About 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid

2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 162738016) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid
PubChem CID162738016
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(Br)c(C(F)(F)F)c(CC(=O)O)c1
InChIInChI=1S/C10H8BrF3O2/c1-5-2-6(4-8(15)16)9(7(11)3-5)10(12,13)14/h2-3H,4H2,1H3,(H,15,16)
InChIKeyVLCFXVAYZZXYDF-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-bromo-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119014997
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
CID 135743181
1-bromo-5-methyl-3-nitro-2-(trifluoromethyl)benzene
CID 119001679
[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
CID 171016775
1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
2-[2-bromo-5-fluoro-4-(trifluoromethyl)phenyl]acetic acid
CID 146676121
3-(3-bromo-2-fluoro-5-methylphenyl)-3-methylbutanoic acid
CID 117466906
3,3-difluoro-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116838349
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-(4-bromo-5-methyl-2-pyridinyl)acetic acid
CID 118799239
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid (CID 162738016) is 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid is Cc1cc(Br)c(C(F)(F)F)c(CC(=O)O)c1.
What is the InChIKey of 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is VLCFXVAYZZXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c1-5-2-6(4-8(15)16)9(7(11)3-5)10(12,13)14/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid?
2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 297.07 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 162738016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).