[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite

C9H11F4O5S- — CID 59524685

IUPAC[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite
SMILESC=C(C)C(=O)OCCCC(F)(F)C(F)(F)OS(=O)[O-]
InChIInChI=1S/C9H12F4O5S/c1-6(2)7(14)17-5-3-4-8(10,11)9(12,13)18-19(15)16/h1,3-5H2,2H3,(H,15,16)/p-1
InChIKeyMWOGQFZCUUUBPZ-UHFFFAOYSA-M
MW307.24 g/mol
LogP1.92
Rot. Bonds8

About [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite

[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite (PubChem CID 59524685) has the molecular formula C9H11F4O5S- and a molecular weight of 307.24 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite
PubChem CID59524685
Molecular FormulaC9H11F4O5S-
Molecular Weight307.24 g/mol
Exact Mass307.03
IUPAC Name[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite
SMILESC=C(C)C(=O)OCCCC(F)(F)C(F)(F)OS(=O)[O-]
InChIInChI=1S/C9H12F4O5S/c1-6(2)7(14)17-5-3-4-8(10,11)9(12,13)18-19(15)16/h1,3-5H2,2H3,(H,15,16)/p-1
InChIKeyMWOGQFZCUUUBPZ-UHFFFAOYSA-M
XLogP1.92
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentoxy]ethanesulfonic acid
CID 59482609
1,1,2,2-tetrafluoro-4-(2-methylprop-2-enoyloxy)butane-1-sulfinic acid
CID 86639890
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(2-methylprop-2-enoyloxy)propyl 2,2-difluorobutanoate
CID 88573524
methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 139835753
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite?
The IUPAC name of [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite (CID 59524685) is [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite.
What is the SMILES notation for [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite?
The canonical SMILES for [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite is C=C(C)C(=O)OCCCC(F)(F)C(F)(F)OS(=O)[O-].
What is the InChIKey of [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite?
The InChIKey is MWOGQFZCUUUBPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12F4O5S/c1-6(2)7(14)17-5-3-4-8(10,11)9(12,13)18-19(15)16/h1,3-5H2,2H3,(H,15,16)/p-1.
What are the key properties of [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite?
[1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite has a molecular weight of 307.24 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentyl] sulfite is sourced from PubChem (CID 59524685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).