[2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate

C19H23F3O4 — CID 129118522

IUPAC[2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C1(OCC(C)(O)C(F)(F)F)CCCC1
InChIInChI=1S/C19H23F3O4/c1-13(2)16(23)26-15-9-5-4-8-14(15)18(10-6-7-11-18)25-12-17(3,24)19(20,21)22/h4-5,8-9,24H,1,6-7,10-12H2,2-3H3
InChIKeyJTOUVPJYXBWIFL-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.27
Rot. Bonds6

About [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate

[2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate (PubChem CID 129118522) has the molecular formula C19H23F3O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate
PubChem CID129118522
Molecular FormulaC19H23F3O4
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name[2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C1(OCC(C)(O)C(F)(F)F)CCCC1
InChIInChI=1S/C19H23F3O4/c1-13(2)16(23)26-15-9-5-4-8-14(15)18(10-6-7-11-18)25-12-17(3,24)19(20,21)22/h4-5,8-9,24H,1,6-7,10-12H2,2-3H3
InChIKeyJTOUVPJYXBWIFL-UHFFFAOYSA-N
XLogP4.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-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

[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
[2-[3-(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate
CID 129118587
[1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate
CID 158487031
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(1-naphthalen-1-ylcyclopentyl) 2-methyl-2-(trifluoromethyl)butanoate
CID 59331050
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[2-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclobutyl] 2-methylprop-2-enoate
CID 129118471
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
CID 160689388
(1-naphthalen-1-ylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate
CID 59330974
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate (CID 129118522) is [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1C1(OCC(C)(O)C(F)(F)F)CCCC1.
What is the InChIKey of [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is JTOUVPJYXBWIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3O4/c1-13(2)16(23)26-15-9-5-4-8-14(15)18(10-6-7-11-18)25-12-17(3,24)19(20,21)22/h4-5,8-9,24H,1,6-7,10-12H2,2-3H3.
What are the key properties of [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate?
[2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 372.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129118522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).