3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid

C11H10F4O3 — CID 155925880

IUPAC3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1cc(OCC(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4O3/c12-9-3-2-8(18-6-11(13,14)15)5-7(9)1-4-10(16)17/h2-3,5H,1,4,6H2,(H,16,17)
InChIKeyUHXFTXGVQZFTMG-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.78
Rot. Bonds5

About 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid

3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid (PubChem CID 155925880) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid
PubChem CID155925880
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1cc(OCC(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4O3/c12-9-3-2-8(18-6-11(13,14)15)5-7(9)1-4-10(16)17/h2-3,5H,1,4,6H2,(H,16,17)
InChIKeyUHXFTXGVQZFTMG-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-(2-fluorophenyl)propanoic acid
CID 2063866
2-propyl-4-(2,2,2-trifluoroethoxy)phenol
CID 22737353
2-fluoro-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 155798145
3-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119177343
3-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]propanoic acid
CID 175665772
1-[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-3-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one
CID 126600929
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
CID 102746826
2,2,2-trifluoroacetic acid;5-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-isoindole
CID 86607009

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid?
The IUPAC name of 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid (CID 155925880) is 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid is O=C(O)CCc1cc(OCC(F)(F)F)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid?
The InChIKey is UHXFTXGVQZFTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c12-9-3-2-8(18-6-11(13,14)15)5-7(9)1-4-10(16)17/h2-3,5H,1,4,6H2,(H,16,17).
What are the key properties of 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid?
3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid has a molecular weight of 266.19 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid is sourced from PubChem (CID 155925880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).