2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate

C19H23F3O5 — CID 174793037

IUPAC2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)F.C=CC(=O)OCCO.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H7F3O2.C5H8O3/c1-2-8-6-4-3-5-7-8;1-4(2)5(10)11-3-6(7,8)9;1-2-5(7)8-4-3-6/h2-7H,1H2;1,3H2,2H3;2,6H,1,3-4H2
InChIKeyZXCCFYIMJBQPOJ-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.71
Rot. Bonds6

About 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate

2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate (PubChem CID 174793037) has the molecular formula C19H23F3O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
PubChem CID174793037
Molecular FormulaC19H23F3O5
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)F.C=CC(=O)OCCO.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H7F3O2.C5H8O3/c1-2-8-6-4-3-5-7-8;1-4(2)5(10)11-3-6(7,8)9;1-2-5(7)8-4-3-6/h2-7H,1H2;1,3H2,2H3;2,6H,1,3-4H2
InChIKeyZXCCFYIMJBQPOJ-UHFFFAOYSA-N
XLogP3.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70370105
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
butyl prop-2-enoate;styrene;2,2,2-trifluoroethyl prop-2-enoate
CID 67725211
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;styrene;2,4,4-trimethylpent-1-ene
CID 131724292
ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
CID 123212080
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 69095633

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate (CID 174793037) is 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(F)F.C=CC(=O)OCCO.C=Cc1ccccc1.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The InChIKey is ZXCCFYIMJBQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H7F3O2.C5H8O3/c1-2-8-6-4-3-5-7-8;1-4(2)5(10)11-3-6(7,8)9;1-2-5(7)8-4-3-6/h2-7H,1H2;1,3H2,2H3;2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate has a molecular weight of 388.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174793037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).