tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane

C22H26F2OSi — CID 171484191

IUPACtert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane
SMILESC/C=C(/O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)C(F)(F)c1ccccc1-2
InChIInChI=1S/C22H26F2OSi/c1-7-20(25-26(5,6)21(2,3)4)15-12-13-17-16-10-8-9-11-18(16)22(23,24)19(17)14-15/h7-14H,1-6H3/b20-7+
InChIKeyQLAFRTVZDXQCBD-IFRROFPPSA-N
MW372.53 g/mol
LogP7.19
Rot. Bonds3

About tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane

tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane (PubChem CID 171484191) has the molecular formula C22H26F2OSi and a molecular weight of 372.53 g/mol. Its IUPAC name is tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane
PubChem CID171484191
Molecular FormulaC22H26F2OSi
Molecular Weight372.53 g/mol
Exact Mass372.17
IUPAC Nametert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane
SMILESC/C=C(/O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)C(F)(F)c1ccccc1-2
InChIInChI=1S/C22H26F2OSi/c1-7-20(25-26(5,6)21(2,3)4)15-12-13-17-16-10-8-9-11-18(16)22(23,24)19(17)14-15/h7-14H,1-6H3/b20-7+
InChIKeyQLAFRTVZDXQCBD-IFRROFPPSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493040
Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
2,5-Dimethyl-9-(trifluoromethyl)fluoren-9-ol
CID 59492589
2-Propan-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492943
trimethyl-[(E)-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-1-enoxy]silane
CID 13693453
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
trimethyl-[(Z,3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane
CID 139262133
trimethyl-[(Z,3R)-1-phenyl-3-[4-(trifluoromethyl)phenyl]pent-1-enoxy]silane
CID 139262134
Trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane
CID 164674292
(2,2-Difluoro-1-naphthalen-2-ylethenoxy)-triethylsilane
CID 177850121
Trimethyl-[1-[10-(1-trimethylsilyloxyethenyl)fluoranthen-7-yl]ethenoxy]silane
CID 11761815
Triethyl-[(8-fluoro-3,15-dimethyl-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)oxy]silane
CID 11003142

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane (CID 171484191) is tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane is C/C=C(/O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)C(F)(F)c1ccccc1-2.
What is the InChIKey of tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane?
The InChIKey is QLAFRTVZDXQCBD-IFRROFPPSA-N. The full InChI is InChI=1S/C22H26F2OSi/c1-7-20(25-26(5,6)21(2,3)4)15-12-13-17-16-10-8-9-11-18(16)22(23,24)19(17)14-15/h7-14H,1-6H3/b20-7+.
What are the key properties of tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane?
tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane has a molecular weight of 372.53 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane is sourced from PubChem (CID 171484191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).