2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid

C16H13F3O3 — CID 176514336

IUPAC2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O3/c1-10(15(20)21)11-4-2-5-12(8-11)13-6-3-7-14(9-13)22-16(17,18)19/h2-10H,1H3,(H,20,21)
InChIKeyARDMTAIRMPZQBQ-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.44
Rot. Bonds4

About 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid

2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid (PubChem CID 176514336) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
PubChem CID176514336
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O3/c1-10(15(20)21)11-4-2-5-12(8-11)13-6-3-7-14(9-13)22-16(17,18)19/h2-10H,1H3,(H,20,21)
InChIKeyARDMTAIRMPZQBQ-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 122534355
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 170338955

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The IUPAC name of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid (CID 176514336) is 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The canonical SMILES for 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid is CC(C(=O)O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The InChIKey is ARDMTAIRMPZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-10(15(20)21)11-4-2-5-12(8-11)13-6-3-7-14(9-13)22-16(17,18)19/h2-10H,1H3,(H,20,21).
What are the key properties of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid has a molecular weight of 310.27 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 176514336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).