2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane

C24H29F3O4 — CID 142194055

IUPAC2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane
SMILESCC.O=C(O)C(Cc1ccc(OCCCOc2cccc(C(F)(F)F)c2)cc1)C1CC1
InChIInChI=1S/C22H23F3O4.C2H6/c23-22(24,25)17-3-1-4-19(14-17)29-12-2-11-28-18-9-5-15(6-10-18)13-20(21(26)27)16-7-8-16;1-2/h1,3-6,9-10,14,16,20H,2,7-8,11-13H2,(H,26,27);1-2H3
InChIKeyDIWZZFQYKYCXIR-UHFFFAOYSA-N
MW438.49 g/mol
LogP6.23
Rot. Bonds10

About 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane

2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane (PubChem CID 142194055) has the molecular formula C24H29F3O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane.

Molecular Properties

Compound Name2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane
PubChem CID142194055
Molecular FormulaC24H29F3O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane
SMILESCC.O=C(O)C(Cc1ccc(OCCCOc2cccc(C(F)(F)F)c2)cc1)C1CC1
InChIInChI=1S/C22H23F3O4.C2H6/c23-22(24,25)17-3-1-4-19(14-17)29-12-2-11-28-18-9-5-15(6-10-18)13-20(21(26)27)16-7-8-16;1-2/h1,3-6,9-10,14,16,20H,2,7-8,11-13H2,(H,26,27);1-2H3
InChIKeyDIWZZFQYKYCXIR-UHFFFAOYSA-N
XLogP6.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane 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

ethane;2-methyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid
CID 142194124
2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
2-[4-[3-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]propoxy]phenyl]acetic acid
CID 141137441
3-[4-[2-[cyclohexylmethyl-[3-(trifluoromethyl)phenoxy]carbonylamino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22231258
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]propanoic acid
CID 122120229
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
2-(4-methylphenoxy)-7-[3-(trifluoromethyl)phenoxy]heptanoic acid
CID 19878783
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane?
The IUPAC name of 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane (CID 142194055) is 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane.
What is the SMILES notation for 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane?
The canonical SMILES for 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane is CC.O=C(O)C(Cc1ccc(OCCCOc2cccc(C(F)(F)F)c2)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane?
The InChIKey is DIWZZFQYKYCXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O4.C2H6/c23-22(24,25)17-3-1-4-19(14-17)29-12-2-11-28-18-9-5-15(6-10-18)13-20(21(26)27)16-7-8-16;1-2/h1,3-6,9-10,14,16,20H,2,7-8,11-13H2,(H,26,27);1-2H3.
What are the key properties of 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane?
2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane has a molecular weight of 438.49 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane is sourced from PubChem (CID 142194055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).