4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane

C21H24F4OSi — CID 54733022

IUPAC4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C21H24F4OSi/c1-2-11-27-12-9-15(10-13-27)17-5-8-19(20(22)14-17)16-3-6-18(7-4-16)26-21(23,24)25/h3-8,14-15,27H,2,9-13H2,1H3
InChIKeyVHIUCHOCTQRHJY-UHFFFAOYSA-N
MW396.50 g/mol
LogP6.91
Rot. Bonds5

About 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane

4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane (PubChem CID 54733022) has the molecular formula C21H24F4OSi and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
PubChem CID54733022
Molecular FormulaC21H24F4OSi
Molecular Weight396.50 g/mol
Exact Mass396.15
IUPAC Name4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C21H24F4OSi/c1-2-11-27-12-9-15(10-13-27)17-5-8-19(20(22)14-17)16-3-6-18(7-4-16)26-21(23,24)25/h3-8,14-15,27H,2,9-13H2,1H3
InChIKeyVHIUCHOCTQRHJY-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-[4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclohexyl]-1,3-dioxane
CID 20656925
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383648
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
2-fluoro-1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139656988
2-[[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 59329314
1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 123681548
2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 67797398
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 123473619
[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] propyl carbonate
CID 70483645

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane?
The IUPAC name of 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane (CID 54733022) is 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane.
What is the SMILES notation for 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane?
The canonical SMILES for 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane is CCC[SiH]1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1.
What is the InChIKey of 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane?
The InChIKey is VHIUCHOCTQRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4OSi/c1-2-11-27-12-9-15(10-13-27)17-5-8-19(20(22)14-17)16-3-6-18(7-4-16)26-21(23,24)25/h3-8,14-15,27H,2,9-13H2,1H3.
What are the key properties of 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane?
4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane has a molecular weight of 396.50 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane is sourced from PubChem (CID 54733022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).