2-(2-ethylphenyl)-2-fluoroacetic acid

C10H11FO2 — CID 105425429

IUPAC2-(2-ethylphenyl)-2-fluoroacetic acid
SMILESCCc1ccccc1C(F)C(=O)O
InChIInChI=1S/C10H11FO2/c1-2-7-5-3-4-6-8(7)9(11)10(12)13/h3-6,9H,2H2,1H3,(H,12,13)
InChIKeySBFJIJJCEDIGGA-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-ethylphenyl)-2-fluoroacetic acid

2-(2-ethylphenyl)-2-fluoroacetic acid (PubChem CID 105425429) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-fluoroacetic acid
PubChem CID105425429
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-(2-ethylphenyl)-2-fluoroacetic acid
SMILESCCc1ccccc1C(F)C(=O)O
InChIInChI=1S/C10H11FO2/c1-2-7-5-3-4-6-8(7)9(11)10(12)13/h3-6,9H,2H2,1H3,(H,12,13)
InChIKeySBFJIJJCEDIGGA-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-ethylphenyl)-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
CID 83824014
2-fluoro-2-(2-propan-2-ylsulfonylphenyl)acetic acid
CID 105425444
2-cyano-2-(2-ethylphenyl)acetic acid
CID 66922918
2-(2-tert-butylphenyl)-2-fluoroacetic acid
CID 105425453
carbonic acid;1,2-diethylbenzene
CID 89388803
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
CID 62414694
1-amino-1-(2-ethylphenyl)propan-2-one
CID 55294273
1-bromo-1-(2-ethylphenyl)propan-2-one
CID 130785743
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
4-(2-ethylphenyl)-4-hydroxy-3-methylbutanoic acid
CID 62390532

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-fluoroacetic acid?
The IUPAC name of 2-(2-ethylphenyl)-2-fluoroacetic acid (CID 105425429) is 2-(2-ethylphenyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2-ethylphenyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2-ethylphenyl)-2-fluoroacetic acid is CCc1ccccc1C(F)C(=O)O.
What is the InChIKey of 2-(2-ethylphenyl)-2-fluoroacetic acid?
The InChIKey is SBFJIJJCEDIGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-7-5-3-4-6-8(7)9(11)10(12)13/h3-6,9H,2H2,1H3,(H,12,13).
What are the key properties of 2-(2-ethylphenyl)-2-fluoroacetic acid?
2-(2-ethylphenyl)-2-fluoroacetic acid has a molecular weight of 182.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-fluoroacetic acid is sourced from PubChem (CID 105425429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).