4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one

C13H19F5O4Si — CID 155607227

IUPAC4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCC(C)(C)[Si](C)(C)/C(F)=C(\F)COC1(C(F)(F)F)COC(=O)O1
InChIInChI=1S/C13H19F5O4Si/c1-11(2,3)23(4,5)9(15)8(14)6-21-12(13(16,17)18)7-20-10(19)22-12/h6-7H2,1-5H3/b9-8-
InChIKeyJGVBODPOVCNSEB-HJWRWDBZSA-N
MW362.37 g/mol
LogP4.63
Rot. Bonds4

About 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one

4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 155607227) has the molecular formula C13H19F5O4Si and a molecular weight of 362.37 g/mol. Its IUPAC name is 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID155607227
Molecular FormulaC13H19F5O4Si
Molecular Weight362.37 g/mol
Exact Mass362.10
IUPAC Name4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCC(C)(C)[Si](C)(C)/C(F)=C(\F)COC1(C(F)(F)F)COC(=O)O1
InChIInChI=1S/C13H19F5O4Si/c1-11(2,3)23(4,5)9(15)8(14)6-21-12(13(16,17)18)7-20-10(19)22-12/h6-7H2,1-5H3/b9-8-
InChIKeyJGVBODPOVCNSEB-HJWRWDBZSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 155607227) is 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one is CC(C)(C)[Si](C)(C)/C(F)=C(\F)COC1(C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is JGVBODPOVCNSEB-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H19F5O4Si/c1-11(2,3)23(4,5)9(15)8(14)6-21-12(13(16,17)18)7-20-10(19)22-12/h6-7H2,1-5H3/b9-8-.
What are the key properties of 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 362.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-[tert-butyl(dimethyl)silyl]-2,3-difluoroprop-2-enoxy]-4-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 155607227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).