[4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate

C15H16F4O3 — CID 121402415

IUPAC[4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC(F)(F)CC(C)(F)F)cc1
InChIInChI=1S/C15H16F4O3/c1-10(2)13(20)22-12-6-4-11(5-7-12)21-9-15(18,19)8-14(3,16)17/h4-7H,1,8-9H2,2-3H3
InChIKeyZXAGZGPSENTCIY-UHFFFAOYSA-N
MW320.28 g/mol
LogP4.23
Rot. Bonds7

About [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate

[4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate (PubChem CID 121402415) has the molecular formula C15H16F4O3 and a molecular weight of 320.28 g/mol. Its IUPAC name is [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate
PubChem CID121402415
Molecular FormulaC15H16F4O3
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC Name[4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC(F)(F)CC(C)(F)F)cc1
InChIInChI=1S/C15H16F4O3/c1-10(2)13(20)22-12-6-4-11(5-7-12)21-9-15(18,19)8-14(3,16)17/h4-7H,1,8-9H2,2-3H3
InChIKeyZXAGZGPSENTCIY-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2,2,4,4-tetrafluoropentoxy)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

(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 70129293
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 170064878
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 123733375
[4-[2-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenoxy]ethoxy]phenyl] 2-methylprop-2-enoate
CID 134370010
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate (CID 121402415) is [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OCC(F)(F)CC(C)(F)F)cc1.
What is the InChIKey of [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate?
The InChIKey is ZXAGZGPSENTCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O3/c1-10(2)13(20)22-12-6-4-11(5-7-12)21-9-15(18,19)8-14(3,16)17/h4-7H,1,8-9H2,2-3H3.
What are the key properties of [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate?
[4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 320.28 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,4,4-tetrafluoropentoxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 121402415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).