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

C9H5F5O2 — CID 62801817

IUPAC2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16)
InChIKeyXXGYJZCVWVRSGB-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.88
Rot. Bonds2

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

2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 62801817) has the molecular formula C9H5F5O2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID62801817
Molecular FormulaC9H5F5O2
Molecular Weight240.13 g/mol
Exact Mass240.02
IUPAC Name2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(F)(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16)
InChIKeyXXGYJZCVWVRSGB-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 62801817) is 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(F)(F)c1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is XXGYJZCVWVRSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16).
What are the key properties of 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid?
2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 240.13 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 62801817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).