2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene

C14H17F3O2 — CID 67852922

IUPAC2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
SMILESC=C(C)C(=O)OCC(F)(F)F.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H7F3O2/c1-7-3-5-8(2)6-4-7;1-4(2)5(10)11-3-6(7,8)9/h3-6H,1-2H3;1,3H2,2H3
InChIKeyDTTSOCMLPWRIAV-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.97
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene

2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene (PubChem CID 67852922) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
PubChem CID67852922
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
SMILESC=C(C)C(=O)OCC(F)(F)F.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H7F3O2/c1-7-3-5-8(2)6-4-7;1-4(2)5(10)11-3-6(7,8)9/h3-6H,1-2H3;1,3H2,2H3
InChIKeyDTTSOCMLPWRIAV-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
bis(2,2,2-trifluoroethyl) 2-[(N,4-dimethylanilino)-methoxymethylidene]propanedioate
CID 10993676
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174793037
1-O-methyl 4-O-(2,2,2-trifluoroethyl) 3,3-difluoro-2-methyl-2-(2-methylprop-2-enoyloxy)butanedioate
CID 162545268
2,2,2-trifluoroethyl 2-(4-methylphenoxy)propanoate
CID 146526270
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
2,2,2-trifluoroethyl 2-methylprop-2-eneperoxoate
CID 155125944

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene?
The IUPAC name of 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene (CID 67852922) is 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene?
The canonical SMILES for 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene is C=C(C)C(=O)OCC(F)(F)F.Cc1ccc(C)cc1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene?
The InChIKey is DTTSOCMLPWRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H7F3O2/c1-7-3-5-8(2)6-4-7;1-4(2)5(10)11-3-6(7,8)9/h3-6H,1-2H3;1,3H2,2H3.
What are the key properties of 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene?
2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene has a molecular weight of 274.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene is sourced from PubChem (CID 67852922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).