3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid

C9H6F4O2 — CID 116838253

IUPAC3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1ccc(F)cc1F
InChIInChI=1S/C9H6F4O2/c10-6-2-1-5(7(11)3-6)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyHIHWTMSQYHFVFA-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.23
Rot. Bonds3

About 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid

3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid (PubChem CID 116838253) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
PubChem CID116838253
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1ccc(F)cc1F
InChIInChI=1S/C9H6F4O2/c10-6-2-1-5(7(11)3-6)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyHIHWTMSQYHFVFA-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
2-[(2,4-difluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899612
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
3-(4,5-difluoro-2-iodophenyl)-2,2-difluoropropanoic acid
CID 162738196
3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid
CID 106490075
3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117414551
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
CID 162738183
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
2-[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 112684608
2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene
CID 64561411

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid (CID 116838253) is 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)Cc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid?
The InChIKey is HIHWTMSQYHFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c10-6-2-1-5(7(11)3-6)4-9(12,13)8(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid?
3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid has a molecular weight of 222.14 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 116838253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).