[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate

C19H19F3O2 — CID 102381317

IUPAC[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
SMILESC[C@H](COC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F3O2/c1-14(16-5-3-2-4-6-16)13-24-18(23)12-9-15-7-10-17(11-8-15)19(20,21)22/h2-8,10-11,14H,9,12-13H2,1H3/t14-/m1/s1
InChIKeyHJYLFUNPAXFPPQ-CQSZACIVSA-N
MW336.35 g/mol
LogP4.98
Rot. Bonds6

About [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate

[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate (PubChem CID 102381317) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Name[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
PubChem CID102381317
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
SMILESC[C@H](COC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F3O2/c1-14(16-5-3-2-4-6-16)13-24-18(23)12-9-15-7-10-17(11-8-15)19(20,21)22/h2-8,10-11,14H,9,12-13H2,1H3/t14-/m1/s1
InChIKeyHJYLFUNPAXFPPQ-CQSZACIVSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate (CID 102381317) is [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate is C[C@H](COC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is HJYLFUNPAXFPPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-14(16-5-3-2-4-6-16)13-24-18(23)12-9-15-7-10-17(11-8-15)19(20,21)22/h2-8,10-11,14H,9,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate?
[(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 336.35 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 102381317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).