methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate

C19H17F3O2 — CID 177485671

IUPACmethyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate
SMILESCOC(=O)/C(=C/CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3O2/c1-24-18(23)17(9-5-8-14-6-3-2-4-7-14)15-10-12-16(13-11-15)19(20,21)22/h2-4,6-7,9-13H,5,8H2,1H3/b17-9+
InChIKeyVEANERDAJNOABM-RQZCQDPDSA-N
MW334.34 g/mol
LogP4.89
Rot. Bonds5

About methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate

methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate (PubChem CID 177485671) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate
PubChem CID177485671
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Namemethyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate
SMILESCOC(=O)/C(=C/CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3O2/c1-24-18(23)17(9-5-8-14-6-3-2-4-7-14)15-10-12-16(13-11-15)19(20,21)22/h2-4,6-7,9-13H,5,8H2,1H3/b17-9+
InChIKeyVEANERDAJNOABM-RQZCQDPDSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate 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

methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
dimethyl 2-[4-(trifluoromethyl)phenyl]but-2-enedioate
CID 138972899
methyl (Z)-3-nitro-2-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 139042285
methyl (Z)-2-[[[(Z)-2-methoxycarbonyl-5-phenylpent-2-enyl]disulfanyl]methyl]-5-phenylpent-2-enoate
CID 11984275
methyl (E)-2-phenyloct-2-enoate
CID 13480316
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(trifluoromethyl)benzoate
CID 7859898
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-(trifluoromethyl)benzoate
CID 71823627
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
(3-phenyl-1-tributylstannylpropyl) 4-(trifluoromethyl)benzoate
CID 51002967

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate?
The IUPAC name of methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate (CID 177485671) is methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate.
What is the SMILES notation for methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate?
The canonical SMILES for methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate is COC(=O)/C(=C/CCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate?
The InChIKey is VEANERDAJNOABM-RQZCQDPDSA-N. The full InChI is InChI=1S/C19H17F3O2/c1-24-18(23)17(9-5-8-14-6-3-2-4-7-14)15-10-12-16(13-11-15)19(20,21)22/h2-4,6-7,9-13H,5,8H2,1H3/b17-9+.
What are the key properties of methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate?
methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate has a molecular weight of 334.34 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate is sourced from PubChem (CID 177485671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).