1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane

C22H27F3OSi — CID 22875778

IUPAC1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
SMILESCCCC1CC[Si](C)(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H27F3OSi/c1-3-4-17-13-15-27(2,16-14-17)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-22(23,24)25/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyOOYDTAYOIJFODX-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.75
Rot. Bonds5

About 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane

1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane (PubChem CID 22875778) has the molecular formula C22H27F3OSi and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane.

Molecular Properties

Compound Name1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
PubChem CID22875778
Molecular FormulaC22H27F3OSi
Molecular Weight392.54 g/mol
Exact Mass392.18
IUPAC Name1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
SMILESCCCC1CC[Si](C)(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H27F3OSi/c1-3-4-17-13-15-27(2,16-14-17)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-22(23,24)25/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyOOYDTAYOIJFODX-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.75
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

1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
5-propyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3,2-dioxaborinane
CID 139617397
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
1-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]-4-ethylbenzene
CID 21353157
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852312
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876727
1-[4-(3-methylbutyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702461
1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene
CID 19767143
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 22908550

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The IUPAC name of 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane (CID 22875778) is 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane.
What is the SMILES notation for 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The canonical SMILES for 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane is CCCC1CC[Si](C)(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The InChIKey is OOYDTAYOIJFODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3OSi/c1-3-4-17-13-15-27(2,16-14-17)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-22(23,24)25/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane has a molecular weight of 392.54 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane is sourced from PubChem (CID 22875778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).