benzyl 2-methylprop-2-enoate;hydrofluoride

C11H13FO2 — CID 161313656

IUPACbenzyl 2-methylprop-2-enoate;hydrofluoride
SMILESC=C(C)C(=O)OCc1ccccc1.F
InChIInChI=1S/C11H12O2.FH/c1-9(2)11(12)13-8-10-6-4-3-5-7-10;/h3-7H,1,8H2,2H3;1H
InChIKeyMDCCDYQHOQCYFR-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.46
Rot. Bonds3

About benzyl 2-methylprop-2-enoate;hydrofluoride

benzyl 2-methylprop-2-enoate;hydrofluoride (PubChem CID 161313656) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is benzyl 2-methylprop-2-enoate;hydrofluoride.

Molecular Properties

Compound Namebenzyl 2-methylprop-2-enoate;hydrofluoride
PubChem CID161313656
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Namebenzyl 2-methylprop-2-enoate;hydrofluoride
SMILESC=C(C)C(=O)OCc1ccccc1.F
InChIInChI=1S/C11H12O2.FH/c1-9(2)11(12)13-8-10-6-4-3-5-7-10;/h3-7H,1,8H2,2H3;1H
InChIKeyMDCCDYQHOQCYFR-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.46
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

benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
benzyl 2-methylprop-2-enoate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
CID 158265907
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
benzyl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 20574609
benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 67462298
[4-(benzenesulfonyl)phenyl]methyl 2-methylprop-2-enoate
CID 101049518
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylprop-2-enoate;hydrofluoride?
The IUPAC name of benzyl 2-methylprop-2-enoate;hydrofluoride (CID 161313656) is benzyl 2-methylprop-2-enoate;hydrofluoride.
What is the SMILES notation for benzyl 2-methylprop-2-enoate;hydrofluoride?
The canonical SMILES for benzyl 2-methylprop-2-enoate;hydrofluoride is C=C(C)C(=O)OCc1ccccc1.F.
What is the InChIKey of benzyl 2-methylprop-2-enoate;hydrofluoride?
The InChIKey is MDCCDYQHOQCYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.FH/c1-9(2)11(12)13-8-10-6-4-3-5-7-10;/h3-7H,1,8H2,2H3;1H.
What are the key properties of benzyl 2-methylprop-2-enoate;hydrofluoride?
benzyl 2-methylprop-2-enoate;hydrofluoride has a molecular weight of 196.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methylprop-2-enoate;hydrofluoride is sourced from PubChem (CID 161313656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).