2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride

C12H11ClF6O3 — CID 87973193

IUPAC2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride
SMILESC[C@@H](OCC(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H10F6O3.ClH/c1-6(21-5-10(19)20)7-2-8(11(13,14)15)4-9(3-7)12(16,17)18;/h2-4,6H,5H2,1H3,(H,19,20);1H/t6-;/m1./s1
InChIKeyIDYDTUIBESRECN-FYZOBXCZSA-N
MW352.66 g/mol
LogP4.31
Rot. Bonds4

About 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride

2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride (PubChem CID 87973193) has the molecular formula C12H11ClF6O3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride
PubChem CID87973193
Molecular FormulaC12H11ClF6O3
Molecular Weight352.66 g/mol
Exact Mass352.03
IUPAC Name2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride
SMILESC[C@@H](OCC(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H10F6O3.ClH/c1-6(21-5-10(19)20)7-2-8(11(13,14)15)4-9(3-7)12(16,17)18;/h2-4,6H,5H2,1H3,(H,19,20);1H/t6-;/m1./s1
InChIKeyIDYDTUIBESRECN-FYZOBXCZSA-N
XLogP4.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetaldehyde
CID 89293959
[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] acetate
CID 102127069
2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-N-[hydroxy(dimethyl)-λ4-sulfanyl]-1-phenylethanimine
CID 90967681
ethane;1-[(1R)-1-methoxyethyl]-3,5-bis(trifluoromethyl)benzene
CID 142256273
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3,6-dimethylpiperidin-3-ol
CID 23574831
5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol
CID 23574812
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 20599034
azane;2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]acetic acid;propane;hydrate
CID 173385554
1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-amine;(E)-but-2-enedioic acid
CID 163325219
CID 58718519
CID 58718519
2-[3,5-bis(trifluoromethyl)phenyl]butanoic acid
CID 23225987
(3S)-3-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid
CID 103548042

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride?
The IUPAC name of 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride (CID 87973193) is 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride is C[C@@H](OCC(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride?
The InChIKey is IDYDTUIBESRECN-FYZOBXCZSA-N. The full InChI is InChI=1S/C12H10F6O3.ClH/c1-6(21-5-10(19)20)7-2-8(11(13,14)15)4-9(3-7)12(16,17)18;/h2-4,6H,5H2,1H3,(H,19,20);1H/t6-;/m1./s1.
What are the key properties of 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride?
2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride has a molecular weight of 352.66 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride is sourced from PubChem (CID 87973193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).