3-(2,4-difluorophenyl)propanoic acid;hydrochloride

C9H9ClF2O2 — CID 175907360

IUPAC3-(2,4-difluorophenyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2.ClH/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;/h1,3,5H,2,4H2,(H,12,13);1H
InChIKeyBWOLZFSFMDTSSI-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.40
Rot. Bonds3

About 3-(2,4-difluorophenyl)propanoic acid;hydrochloride

3-(2,4-difluorophenyl)propanoic acid;hydrochloride (PubChem CID 175907360) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)propanoic acid;hydrochloride
PubChem CID175907360
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name3-(2,4-difluorophenyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2.ClH/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;/h1,3,5H,2,4H2,(H,12,13);1H
InChIKeyBWOLZFSFMDTSSI-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
4-(2,4-difluorophenyl)butan-2-one
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3-(2-fluoro-4-iodophenyl)propanoic acid
CID 91883071
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
3-(2,4-difluorophenyl)-N'-methylpropanehydrazide
CID 116846361
3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid
CID 2843712
3-(2-fluorophenyl)propanoic acid
CID 2063866
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
4-[4-(2,4-difluorophenyl)butan-2-ylamino]butanoic acid
CID 122035922
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2,4-difluorophenyl)propanoic acid;hydrochloride (CID 175907360) is 3-(2,4-difluorophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2,4-difluorophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2,4-difluorophenyl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)propanoic acid;hydrochloride?
The InChIKey is BWOLZFSFMDTSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2.ClH/c10-7-3-1-6(8(11)5-7)2-4-9(12)13;/h1,3,5H,2,4H2,(H,12,13);1H.
What are the key properties of 3-(2,4-difluorophenyl)propanoic acid;hydrochloride?
3-(2,4-difluorophenyl)propanoic acid;hydrochloride has a molecular weight of 222.62 g/mol, XLogP of 2.40, 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)propanoic acid;hydrochloride is sourced from PubChem (CID 175907360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).