dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide

C9H14F3O2Si- — CID 163744654

IUPACdimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide
SMILESC=CC[SiH-](C)(C)OC(=O)C(=C)C(F)(F)F
InChIInChI=1S/C9H14F3O2Si/c1-5-6-15(3,4)14-8(13)7(2)9(10,11)12/h5,15H,1-2,6H2,3-4H3/q-1
InChIKeyLKTXKWUPUGHXQP-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.77
Rot. Bonds4

About dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide

dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide (PubChem CID 163744654) has the molecular formula C9H14F3O2Si- and a molecular weight of 239.29 g/mol. Its IUPAC name is dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide.

Molecular Properties

Compound Namedimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide
PubChem CID163744654
Molecular FormulaC9H14F3O2Si-
Molecular Weight239.29 g/mol
Exact Mass239.07
IUPAC Namedimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide
SMILESC=CC[SiH-](C)(C)OC(=O)C(=C)C(F)(F)F
InChIInChI=1S/C9H14F3O2Si/c1-5-6-15(3,4)14-8(13)7(2)9(10,11)12/h5,15H,1-2,6H2,3-4H3/q-1
InChIKeyLKTXKWUPUGHXQP-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl 2-(trifluoromethyl)prop-2-enoate
CID 91457010
2-methylprop-2-enoic acid;4-[2-(trifluoromethyl)prop-2-enoyloxy]butanoic acid
CID 159777965
4-methyl-2-(trifluoromethyl)pent-1-en-3-one
CID 90085029
bis(2-fluoroprop-2-enoyloxy)boranyl 2-fluoroprop-2-enoate;[2-methylprop-2-enoyloxy-[2-(trifluoromethyl)prop-2-enoyloxy]boranyl] 2-(trifluoromethyl)prop-2-enoate
CID 123536496
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
CID 134465608
[4-[2-(trifluoromethyl)prop-2-enoyloxymethyl]cyclohexyl]methyl 2-(trifluoromethyl)prop-2-enoate
CID 137393853
methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate;methyl 2-(trifluoromethyl)prop-2-enoate
CID 90771270
[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
CID 58975618
(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene
CID 147260111
heptan-2-yl 2-(trifluoromethyl)prop-2-enoate
CID 140569467
4,4-dimethyl-2-(trifluoromethyl)hex-1-en-3-one
CID 134267480
nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784

Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide?
The IUPAC name of dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide (CID 163744654) is dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide.
What is the SMILES notation for dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide?
The canonical SMILES for dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide is C=CC[SiH-](C)(C)OC(=O)C(=C)C(F)(F)F.
What is the InChIKey of dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide?
The InChIKey is LKTXKWUPUGHXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3O2Si/c1-5-6-15(3,4)14-8(13)7(2)9(10,11)12/h5,15H,1-2,6H2,3-4H3/q-1.
What are the key properties of dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide?
dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide has a molecular weight of 239.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide is sourced from PubChem (CID 163744654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).