2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid

C9H8ClFO3 — CID 105424799

IUPAC2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H8ClFO3/c1-9(11,8(13)14)5-2-3-7(12)6(10)4-5/h2-4,12H,1H3,(H,13,14)
InChIKeyQMBMVTUFXTZXAC-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid

2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid (PubChem CID 105424799) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid
PubChem CID105424799
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H8ClFO3/c1-9(11,8(13)14)5-2-3-7(12)6(10)4-5/h2-4,12H,1H3,(H,13,14)
InChIKeyQMBMVTUFXTZXAC-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylsulfanylphenyl)-2-fluoropropanoic acid
CID 105424847
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
CID 105426673
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
CID 150655549
4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
CID 139601186
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 161473279
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
CID 105426079
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
CID 39058327
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583978
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 67724920
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid (CID 105424799) is 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid is CC(F)(C(=O)O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid?
The InChIKey is QMBMVTUFXTZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-9(11,8(13)14)5-2-3-7(12)6(10)4-5/h2-4,12H,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid?
2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid has a molecular weight of 218.61 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 105424799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).