3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)

C61H86F16O20 — CID 159455408

IUPAC3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCCC(F)(F)F.C=C(C)C(=O)OCCC(F)(F)F.C=C(C)C(=O)OCCC(F)F.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCC(F)(F)F.C=CC(=O)OCCC(F)(F)F.C=CC(=O)OCCC(F)F
InChIInChI=1S/2C7H9F3O2.C7H10F2O2.2C6H7F3O2.C6H8F2O2.2C6H10O2.2C5H8O2/c2*1-5(2)6(11)12-4-3-7(8,9)10;1-5(2)7(10)11-4-3-6(8)9;2*1-2-5(10)11-4-3-6(7,8)9;1-2-6(9)10-4-3-5(7)8;2*1-4-8-6(7)5(2)3;2*1-3-5(6)7-4-2/h2*1,3-4H2,2H3;6H,1,3-4H2,2H3;2*2H,1,3-4H2;2,5H,1,3-4H2;2*2,4H2,1,3H3;2*3H,1,4H2,2H3
InChIKeyLTXGMARUJAHMNL-UHFFFAOYSA-N
MW1443.31 g/mol
LogP14.31
Rot. Bonds28

About 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)

3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate) (PubChem CID 159455408) has the molecular formula C61H86F16O20 and a molecular weight of 1443.31 g/mol. Its IUPAC name is 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate).

Molecular Properties

Compound Name3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)
PubChem CID159455408
Molecular FormulaC61H86F16O20
Molecular Weight1443.31 g/mol
Exact Mass1442.55
IUPAC Name3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCCC(F)(F)F.C=C(C)C(=O)OCCC(F)(F)F.C=C(C)C(=O)OCCC(F)F.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCC(F)(F)F.C=CC(=O)OCCC(F)(F)F.C=CC(=O)OCCC(F)F
InChIInChI=1S/2C7H9F3O2.C7H10F2O2.2C6H7F3O2.C6H8F2O2.2C6H10O2.2C5H8O2/c2*1-5(2)6(11)12-4-3-7(8,9)10;1-5(2)7(10)11-4-3-6(8)9;2*1-2-5(10)11-4-3-6(7,8)9;1-2-6(9)10-4-3-5(7)8;2*1-4-8-6(7)5(2)3;2*1-3-5(6)7-4-2/h2*1,3-4H2,2H3;6H,1,3-4H2,2H3;2*2H,1,3-4H2;2,5H,1,3-4H2;2*2,4H2,1,3H3;2*3H,1,4H2,2H3
InChIKeyLTXGMARUJAHMNL-UHFFFAOYSA-N
XLogP14.31
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.31
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate) with MolForge

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Related Compounds

butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
chloromethane;ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174378741
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate
CID 121324189
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)?
The IUPAC name of 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate) (CID 159455408) is 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate).
What is the SMILES notation for 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)?
The canonical SMILES for 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate) is C=C(C)C(=O)OCC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCCC(F)(F)F.C=C(C)C(=O)OCCC(F)(F)F.C=C(C)C(=O)OCCC(F)F.C=CC(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCC(F)(F)F.C=CC(=O)OCCC(F)(F)F.C=CC(=O)OCCC(F)F.
What is the InChIKey of 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)?
The InChIKey is LTXGMARUJAHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9F3O2.C7H10F2O2.2C6H7F3O2.C6H8F2O2.2C6H10O2.2C5H8O2/c2*1-5(2)6(11)12-4-3-7(8,9)10;1-5(2)7(10)11-4-3-6(8)9;2*1-2-5(10)11-4-3-6(7,8)9;1-2-6(9)10-4-3-5(7)8;2*1-4-8-6(7)5(2)3;2*1-3-5(6)7-4-2/h2*1,3-4H2,2H3;6H,1,3-4H2,2H3;2*2H,1,3-4H2;2,5H,1,3-4H2;2*2,4H2,1,3H3;2*3H,1,4H2,2H3.
What are the key properties of 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate)?
3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate) has a molecular weight of 1443.31 g/mol, XLogP of 14.31, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropyl 2-methylprop-2-enoate;3,3-difluoropropyl prop-2-enoate;bis(ethyl 2-methylprop-2-enoate);bis(ethyl prop-2-enoate);bis(3,3,3-trifluoropropyl 2-methylprop-2-enoate);bis(3,3,3-trifluoropropyl prop-2-enoate) is sourced from PubChem (CID 159455408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).