2-[2-(trifluoromethyl)phenyl]acetic acid

C9H7F3O2 — CID 594597

IUPAC2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKeyTYOCDHCKTWANIR-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.33
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]acetic acid

2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 594597) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID594597
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKeyTYOCDHCKTWANIR-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]acetic acid (CID 594597) is 2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is TYOCDHCKTWANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]acetic acid?
2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 204.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 594597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).