1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane

C18H16ClF5OSi — CID 123681548

IUPAC1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
SMILESFc1cc(C2CC[SiH](Cl)CC2)cc(F)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16ClF5OSi/c19-26-7-5-11(6-8-26)13-9-15(20)17(16(21)10-13)12-1-3-14(4-2-12)25-18(22,23)24/h1-4,9-11,26H,5-8H2
InChIKeyVXVKXZAJWIIMSH-UHFFFAOYSA-N
MW406.85 g/mol
LogP6.37
Rot. Bonds3

About 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane

1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane (PubChem CID 123681548) has the molecular formula C18H16ClF5OSi and a molecular weight of 406.85 g/mol. Its IUPAC name is 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane.

Molecular Properties

Compound Name1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
PubChem CID123681548
Molecular FormulaC18H16ClF5OSi
Molecular Weight406.85 g/mol
Exact Mass406.06
IUPAC Name1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
SMILESFc1cc(C2CC[SiH](Cl)CC2)cc(F)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16ClF5OSi/c19-26-7-5-11(6-8-26)13-9-15(20)17(16(21)10-13)12-1-3-14(4-2-12)25-18(22,23)24/h1-4,9-11,26H,5-8H2
InChIKeyVXVKXZAJWIIMSH-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.85
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 123473619
4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
CID 54733022
1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
CID 22080320
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
2-[[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 59329314
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-chloro-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 134627917
1-[4-(2-chloroethenyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 54491632
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
CID 67758972
1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 91212587
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The IUPAC name of 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane (CID 123681548) is 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane.
What is the SMILES notation for 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The canonical SMILES for 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane is Fc1cc(C2CC[SiH](Cl)CC2)cc(F)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The InChIKey is VXVKXZAJWIIMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF5OSi/c19-26-7-5-11(6-8-26)13-9-15(20)17(16(21)10-13)12-1-3-14(4-2-12)25-18(22,23)24/h1-4,9-11,26H,5-8H2.
What are the key properties of 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane has a molecular weight of 406.85 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane is sourced from PubChem (CID 123681548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).