2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid

C11H11F3O2 — CID 83824014

IUPAC2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
SMILESCCc1ccccc1C(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-2-7-5-3-4-6-8(7)9(10(15)16)11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)
InChIKeyURTKCHAVKYVYOV-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid

2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid (PubChem CID 83824014) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
PubChem CID83824014
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
SMILESCCc1ccccc1C(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-2-7-5-3-4-6-8(7)9(10(15)16)11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)
InChIKeyURTKCHAVKYVYOV-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(carboxymethyl)phenyl]-3,3,3-trifluoropropanoic acid
CID 161438422
3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84787274
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
CID 84812531
[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid
CID 66796809
2-cyano-2-(2-ethylphenyl)acetic acid
CID 66922918
carbonic acid;1,2-diethylbenzene
CID 89388803
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid (CID 83824014) is 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid is CCc1ccccc1C(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is URTKCHAVKYVYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-2-7-5-3-4-6-8(7)9(10(15)16)11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16).
What are the key properties of 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid?
2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 232.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 83824014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).