2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid

C11H10F4O2 — CID 84728987

IUPAC2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1C(F)C(F)(F)F
InChIInChI=1S/C11H10F4O2/c1-6(10(16)17)7-4-2-3-5-8(7)9(12)11(13,14)15/h2-6,9H,1H3,(H,16,17)
InChIKeyIIUWVFMFMUCGMU-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.45
Rot. Bonds3

About 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid

2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid (PubChem CID 84728987) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
PubChem CID84728987
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1C(F)C(F)(F)F
InChIInChI=1S/C11H10F4O2/c1-6(10(16)17)7-4-2-3-5-8(7)9(12)11(13,14)15/h2-6,9H,1H3,(H,16,17)
InChIKeyIIUWVFMFMUCGMU-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66999361
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CID 165489779
2-[2-(fluoromethyl)phenyl]propanoic acid
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(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
CID 141071562
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983
2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
CID 175420502
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-[2-(2-fluoroethyl)phenyl]propanoic acid
CID 84666825
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
ethane;2-naphthalen-1-ylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid (CID 84728987) is 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1C(F)C(F)(F)F.
What is the InChIKey of 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid?
The InChIKey is IIUWVFMFMUCGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-6(10(16)17)7-4-2-3-5-8(7)9(12)11(13,14)15/h2-6,9H,1H3,(H,16,17).
What are the key properties of 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid?
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid has a molecular weight of 250.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid is sourced from PubChem (CID 84728987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).