(3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin

C11H10F2O2Sn — CID 171754032

IUPAC(3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin
SMILESC=C(C)C(=O)O[Sn]Cc1cc(F)cc(F)c1
InChIInChI=1S/C7H5F2.C4H6O2.Sn/c1-5-2-6(8)4-7(9)3-5;1-3(2)4(5)6;/h2-4H,1H2;1H2,2H3,(H,5,6);/q;;+1/p-1
InChIKeyAAZZWTMTLJIWJX-UHFFFAOYSA-M
MW330.91 g/mol
LogP2.20
Rot. Bonds4

About (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin

(3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin (PubChem CID 171754032) has the molecular formula C11H10F2O2Sn and a molecular weight of 330.91 g/mol. Its IUPAC name is (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin.

Molecular Properties

Compound Name(3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin
PubChem CID171754032
Molecular FormulaC11H10F2O2Sn
Molecular Weight330.91 g/mol
Exact Mass331.97
IUPAC Name(3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin
SMILESC=C(C)C(=O)O[Sn]Cc1cc(F)cc(F)c1
InChIInChI=1S/C7H5F2.C4H6O2.Sn/c1-5-2-6(8)4-7(9)3-5;1-3(2)4(5)6;/h2-4H,1H2;1H2,2H3,(H,5,6);/q;;+1/p-1
InChIKeyAAZZWTMTLJIWJX-UHFFFAOYSA-M
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.91
LogP ≤ 52.20
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

4-Fluorocinnamic acid
CID 1530234
2-Fluorocinnamic acid
CID 735833
(2E)-3-(2,3-difluorophenyl)prop-2-enoic acid
CID 5702854
2-Methylprop-2-enoic acid;styrene
CID 165730
methyl (2E)-3-(4-fluorophenyl)prop-2-enoate
CID 958751
(2E)-3-(3-Fluorophenyl)-2-propenoic acid
CID 1551219
trans-3,4-Difluorocinnamic acid
CID 2733300
2,4-Difluorocinnamic Acid
CID 5374945
o-Fluorocinnamic acid
CID 67977
3-(4-Fluorophenyl)-2-propenoic acid
CID 98070
2,6-Difluorocinnamic acid
CID 5372267
trans-3,5-Difluorocinnamic acid
CID 5374941

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin?
The IUPAC name of (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin (CID 171754032) is (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin.
What is the SMILES notation for (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin?
The canonical SMILES for (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin is C=C(C)C(=O)O[Sn]Cc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin?
The InChIKey is AAZZWTMTLJIWJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F2.C4H6O2.Sn/c1-5-2-6(8)4-7(9)3-5;1-3(2)4(5)6;/h2-4H,1H2;1H2,2H3,(H,5,6);/q;;+1/p-1.
What are the key properties of (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin?
(3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin has a molecular weight of 330.91 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)methyl-(2-methylprop-2-enoyloxy)tin is sourced from PubChem (CID 171754032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).