methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate

C11H14F4O4 — CID 174893406

IUPACmethyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)C(F)F.C=CC(=O)OC
InChIInChI=1S/C7H8F4O2.C4H6O2/c1-4(2)5(12)13-3-7(10,11)6(8)9;1-3-4(5)6-2/h6H,1,3H2,2H3;3H,1H2,2H3
InChIKeyUSIOGTVVSVUFDG-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.35
Rot. Bonds5

About methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate

methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate (PubChem CID 174893406) has the molecular formula C11H14F4O4 and a molecular weight of 286.22 g/mol. Its IUPAC name is methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
PubChem CID174893406
Molecular FormulaC11H14F4O4
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Namemethyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)C(F)F.C=CC(=O)OC
InChIInChI=1S/C7H8F4O2.C4H6O2/c1-4(2)5(12)13-3-7(10,11)6(8)9;1-3-4(5)6-2/h6H,1,3H2,2H3;3H,1H2,2H3
InChIKeyUSIOGTVVSVUFDG-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 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-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174811484
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
CID 173410542
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
CID 167252091
butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 158814067
N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
CID 158189106
(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
butyl 2-methylprop-2-enoate;2-methylpropane;methyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 174913264
methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;prop-2-enoic acid
CID 163742520

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate?
The IUPAC name of methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate (CID 174893406) is methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate?
The canonical SMILES for methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(F)C(F)F.C=CC(=O)OC.
What is the InChIKey of methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate?
The InChIKey is USIOGTVVSVUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2.C4H6O2/c1-4(2)5(12)13-3-7(10,11)6(8)9;1-3-4(5)6-2/h6H,1,3H2,2H3;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate?
methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate has a molecular weight of 286.22 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate is sourced from PubChem (CID 174893406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).