2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid

C9H7F3O2 — CID 62393597

IUPAC2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid
SMILESCc1cc(F)ccc1C(F)(F)C(=O)O
InChIInChI=1S/C9H7F3O2/c1-5-4-6(10)2-3-7(5)9(11,12)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyDMPVZKDYYRYKAG-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.31
Rot. Bonds2

About 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid

2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid (PubChem CID 62393597) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid
PubChem CID62393597
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid
SMILESCc1cc(F)ccc1C(F)(F)C(=O)O
InChIInChI=1S/C9H7F3O2/c1-5-4-6(10)2-3-7(5)9(11,12)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyDMPVZKDYYRYKAG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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-(4-fluoro-2-methylphenyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid (CID 62393597) is 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid is Cc1cc(F)ccc1C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid?
The InChIKey is DMPVZKDYYRYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-5-4-6(10)2-3-7(5)9(11,12)8(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid?
2,2-difluoro-2-(4-fluoro-2-methylphenyl)acetic acid has a molecular weight of 204.15 g/mol, XLogP of 2.31, 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-(4-fluoro-2-methylphenyl)acetic acid is sourced from PubChem (CID 62393597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).