2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid

C10H11FO4 — CID 53441736

IUPAC2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
SMILESCOc1ccc(C(F)C(=O)O)cc1OC
InChIInChI=1S/C10H11FO4/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5,9H,1-2H3,(H,12,13)
InChIKeyOFXWUPYQTMFRSB-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.80
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid

2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid (PubChem CID 53441736) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
PubChem CID53441736
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
SMILESCOc1ccc(C(F)C(=O)O)cc1OC
InChIInChI=1S/C10H11FO4/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5,9H,1-2H3,(H,12,13)
InChIKeyOFXWUPYQTMFRSB-UHFFFAOYSA-N
XLogP1.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
2-(3,4-dimethoxyphenyl)but-3-enoic acid;ethene
CID 143227697
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-[[carboxy-(3,4-dimethoxyphenyl)methyl]amino]propanoic acid
CID 82344855
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
4-amino-4-(3,4-dimethoxyphenyl)-2-methylbutanoic acid
CID 116938376
3-(3,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398262
(2S,3S)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171162207
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid (CID 53441736) is 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid is COc1ccc(C(F)C(=O)O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid?
The InChIKey is OFXWUPYQTMFRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5,9H,1-2H3,(H,12,13).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid?
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid has a molecular weight of 214.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid is sourced from PubChem (CID 53441736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).