2-(3,5-difluorophenyl)-2,2-difluoroacetic acid

C8H4F4O2 — CID 22492123

IUPAC2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cc(F)cc(F)c1
InChIInChI=1S/C8H4F4O2/c9-5-1-4(2-6(10)3-5)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyVOJLCUOUDHMLKY-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.14
Rot. Bonds2

About 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid

2-(3,5-difluorophenyl)-2,2-difluoroacetic acid (PubChem CID 22492123) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
PubChem CID22492123
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cc(F)cc(F)c1
InChIInChI=1S/C8H4F4O2/c9-5-1-4(2-6(10)3-5)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyVOJLCUOUDHMLKY-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid (CID 22492123) is 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid?
The InChIKey is VOJLCUOUDHMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-5-1-4(2-6(10)3-5)8(11,12)7(13)14/h1-3H,(H,13,14).
What are the key properties of 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid?
2-(3,5-difluorophenyl)-2,2-difluoroacetic acid has a molecular weight of 208.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 22492123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).