methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate

C10H13F3O4 — CID 174811484

IUPACmethyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)C(F)F.C=CC(=O)OC
InChIInChI=1S/C6H7F3O2.C4H6O2/c1-3(2)6(10)11-5(9)4(7)8;1-3-4(5)6-2/h4-5H,1H2,2H3;3H,1H2,2H3
InChIKeyHSHBRUBHBLVGKB-UHFFFAOYSA-N
MW254.20 g/mol
LogP2.01
Rot. Bonds4

About methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate

methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate (PubChem CID 174811484) has the molecular formula C10H13F3O4 and a molecular weight of 254.20 g/mol. Its IUPAC name is methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate
PubChem CID174811484
Molecular FormulaC10H13F3O4
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Namemethyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)C(F)F.C=CC(=O)OC
InChIInChI=1S/C6H7F3O2.C4H6O2/c1-3(2)6(10)11-5(9)4(7)8;1-3-4(5)6-2/h4-5H,1H2,2H3;3H,1H2,2H3
InChIKeyHSHBRUBHBLVGKB-UHFFFAOYSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
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
methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
CID 174893406
(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
chloro acetate;methyl prop-2-enoate
CID 174436882
chloroform;methyl prop-2-enoate
CID 123529405
propan-2-yl 2-methylprop-2-enoate
CID 146421311
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate?
The IUPAC name of methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate (CID 174811484) is methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate?
The canonical SMILES for methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)C(F)F.C=CC(=O)OC.
What is the InChIKey of methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate?
The InChIKey is HSHBRUBHBLVGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2.C4H6O2/c1-3(2)6(10)11-5(9)4(7)8;1-3-4(5)6-2/h4-5H,1H2,2H3;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate?
methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate has a molecular weight of 254.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;1,2,2-trifluoroethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174811484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).