2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate

C14H21F3O4 — CID 159858483

IUPAC2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C10H15F3O2.C4H6O2/c1-6(2)8(14)15-9(4,5)7(3)10(11,12)13;1-3(2)4(5)6/h7H,1H2,2-5H3;1H2,2H3,(H,5,6)
InChIKeyNQVKAVRXILUTNM-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.73
Rot. Bonds4

About 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate

2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate (PubChem CID 159858483) has the molecular formula C14H21F3O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
PubChem CID159858483
Molecular FormulaC14H21F3O4
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC Name2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C10H15F3O2.C4H6O2/c1-6(2)8(14)15-9(4,5)7(3)10(11,12)13;1-3(2)4(5)6/h7H,1H2,2-5H3;1H2,2H3,(H,5,6)
InChIKeyNQVKAVRXILUTNM-UHFFFAOYSA-N
XLogP3.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 161115014
(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluoro-7-methyloctyl) 2-methylprop-2-enoate
CID 142711382
(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate
CID 21403547
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
CID 159325388
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate
CID 150017799
(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate
CID 147136545
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate (CID 159858483) is 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)OC(C)(C)C(C)C(F)(F)F.
What is the InChIKey of 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate?
The InChIKey is NQVKAVRXILUTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2.C4H6O2/c1-6(2)8(14)15-9(4,5)7(3)10(11,12)13;1-3(2)4(5)6/h7H,1H2,2-5H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate?
2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate has a molecular weight of 310.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 159858483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).