3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid

C10H10ClFO2 — CID 83402731

IUPAC3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C10H10ClFO2/c1-6(10(13)14)4-7-5-8(11)2-3-9(7)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyDTLWTLDUXDAJBT-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.74
Rot. Bonds3

About 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid

3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid (PubChem CID 83402731) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
PubChem CID83402731
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C10H10ClFO2/c1-6(10(13)14)4-7-5-8(11)2-3-9(7)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyDTLWTLDUXDAJBT-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
3-[2-(2-amino-2-carboxyethyl)-4-chlorophenyl]-2-methylpropanoic acid
CID 18956360
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
4-amino-2-[(5-chloro-2-fluorophenyl)methyl]butanoic acid
CID 103052246
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
3-[(5-chloro-2-fluorophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 122066492
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid (CID 83402731) is 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid is CC(Cc1cc(Cl)ccc1F)C(=O)O.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is DTLWTLDUXDAJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6(10(13)14)4-7-5-8(11)2-3-9(7)12/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid?
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 216.64 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83402731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).