2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid

C11H13FO5 — CID 117361958

IUPAC2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
SMILESCOc1cc(CF)c(C(O)C(=O)O)cc1OC
InChIInChI=1S/C11H13FO5/c1-16-8-3-6(5-12)7(4-9(8)17-2)10(13)11(14)15/h3-4,10,13H,5H2,1-2H3,(H,14,15)
InChIKeyNDTAANFVMITGJP-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid

2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid (PubChem CID 117361958) has the molecular formula C11H13FO5 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
PubChem CID117361958
Molecular FormulaC11H13FO5
Molecular Weight244.22 g/mol
Exact Mass244.07
IUPAC Name2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
SMILESCOc1cc(CF)c(C(O)C(=O)O)cc1OC
InChIInChI=1S/C11H13FO5/c1-16-8-3-6(5-12)7(4-9(8)17-2)10(13)11(14)15/h3-4,10,13H,5H2,1-2H3,(H,14,15)
InChIKeyNDTAANFVMITGJP-UHFFFAOYSA-N
XLogP1.29
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
CID 117359338
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-methylpropanoic acid
CID 117428925
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid (CID 117361958) is 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid is COc1cc(CF)c(C(O)C(=O)O)cc1OC.
What is the InChIKey of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The InChIKey is NDTAANFVMITGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5/c1-16-8-3-6(5-12)7(4-9(8)17-2)10(13)11(14)15/h3-4,10,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid has a molecular weight of 244.22 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117361958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).