1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate

C12H12F8O4 — CID 123374776

IUPAC1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)CC(F)(F)F.C=C(C)C(=O)OC(F)(F)F
InChIInChI=1S/C7H7F5O2.C5H5F3O2/c1-4(2)5(13)14-7(11,12)3-6(8,9)10;1-3(2)4(9)10-5(6,7)8/h1,3H2,2H3;1H2,2H3
InChIKeyPZNZUDINHJSLGB-UHFFFAOYSA-N
MW372.21 g/mol
LogP4.28
Rot. Bonds4

About 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate

1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate (PubChem CID 123374776) has the molecular formula C12H12F8O4 and a molecular weight of 372.21 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
PubChem CID123374776
Molecular FormulaC12H12F8O4
Molecular Weight372.21 g/mol
Exact Mass372.06
IUPAC Name1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)CC(F)(F)F.C=C(C)C(=O)OC(F)(F)F
InChIInChI=1S/C7H7F5O2.C5H5F3O2/c1-4(2)5(13)14-7(11,12)3-6(8,9)10;1-3(2)4(9)10-5(6,7)8/h1,3H2,2H3;1H2,2H3
InChIKeyPZNZUDINHJSLGB-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 54.28
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

1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate
CID 123690892
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
1,1,2-tribromoethyl 2-methylprop-2-enoate
CID 87486491
(1,2,2,3,3,3-hexafluoro-1-hydroxypropyl) 2-methylprop-2-enoate
CID 174727333
bis(trifluoromethyl) oxalate
CID 71350742
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
2,2,2-trifluoroethyl 2-methylprop-2-eneperoxoate
CID 155125944
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 161115014
1-tert-butyl-4-ethenylbenzene;trifluoromethyl 2-methylprop-2-enoate
CID 158477924
bis(trifluoromethyl) oxalate;boric acid
CID 174985556
1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-4-yl 2-methylprop-2-enoate
CID 141413005

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate (CID 123374776) is 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)(F)CC(F)(F)F.C=C(C)C(=O)OC(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate?
The InChIKey is PZNZUDINHJSLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O2.C5H5F3O2/c1-4(2)5(13)14-7(11,12)3-6(8,9)10;1-3(2)4(9)10-5(6,7)8/h1,3H2,2H3;1H2,2H3.
What are the key properties of 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate?
1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate has a molecular weight of 372.21 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123374776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).