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

C10H9F3O3 — CID 175718270

IUPAC(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-6(9(14)15)7-3-2-4-8(5-7)16-10(11,12)13/h2-6H,1H3,(H,14,15)/t6-/m1/s1
InChIKeyWWRUKRVCWXDJHW-ZCFIWIBFSA-N
MW234.17 g/mol
LogP2.77
Rot. Bonds3

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

(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid (PubChem CID 175718270) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
PubChem CID175718270
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-6(9(14)15)7-3-2-4-8(5-7)16-10(11,12)13/h2-6H,1H3,(H,14,15)/t6-/m1/s1
InChIKeyWWRUKRVCWXDJHW-ZCFIWIBFSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107104802
diethyl 2-[3-(trifluoromethoxy)phenyl]propanedioate;2-[3-(trifluoromethoxy)phenyl]propanedioic acid
CID 87554932
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 107105212
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
CID 153401064
CID 153401064
2-amino-4-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 174512632
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
CID 87204041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid?
The IUPAC name of (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid (CID 175718270) is (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid is C[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid?
The InChIKey is WWRUKRVCWXDJHW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-6(9(14)15)7-3-2-4-8(5-7)16-10(11,12)13/h2-6H,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid?
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 175718270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).