2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid

C10H8F4O2 — CID 66523493

IUPAC2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(CC(=O)O)c(F)cc1C(F)(F)F
InChIInChI=1S/C10H8F4O2/c1-5-2-6(3-9(15)16)8(11)4-7(5)10(12,13)14/h2,4H,3H2,1H3,(H,15,16)
InChIKeySCCXDMHIISSUCO-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.78
Rot. Bonds2

About 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid

2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 66523493) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
PubChem CID66523493
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
SMILESCc1cc(CC(=O)O)c(F)cc1C(F)(F)F
InChIInChI=1S/C10H8F4O2/c1-5-2-6(3-9(15)16)8(11)4-7(5)10(12,13)14/h2,4H,3H2,1H3,(H,15,16)
InChIKeySCCXDMHIISSUCO-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-[4-cyano-5-methyl-2-(trifluoromethyl)phenyl]acetic acid
CID 134628107
2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
CID 117305515
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
2-[2-bromo-5-fluoro-4-(trifluoromethyl)phenyl]acetic acid
CID 146676121
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine
CID 146589611
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid (CID 66523493) is 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid is Cc1cc(CC(=O)O)c(F)cc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is SCCXDMHIISSUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c1-5-2-6(3-9(15)16)8(11)4-7(5)10(12,13)14/h2,4H,3H2,1H3,(H,15,16).
What are the key properties of 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid?
2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 236.16 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 66523493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).