1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane

C18H18ClF3OSi — CID 123473619

IUPAC1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CC[SiH](Cl)CC3)cc2)cc1
InChIInChI=1S/C18H18ClF3OSi/c19-24-11-9-16(10-12-24)14-3-1-13(2-4-14)15-5-7-17(8-6-15)23-18(20,21)22/h1-8,16,24H,9-12H2
InChIKeyDBGNEWOCFUCAJB-UHFFFAOYSA-N
MW370.87 g/mol
LogP6.09
Rot. Bonds3

About 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane

1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane (PubChem CID 123473619) has the molecular formula C18H18ClF3OSi and a molecular weight of 370.87 g/mol. Its IUPAC name is 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane.

Molecular Properties

Compound Name1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
PubChem CID123473619
Molecular FormulaC18H18ClF3OSi
Molecular Weight370.87 g/mol
Exact Mass370.08
IUPAC Name1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CC[SiH](Cl)CC3)cc2)cc1
InChIInChI=1S/C18H18ClF3OSi/c19-24-11-9-16(10-12-24)14-3-1-13(2-4-14)15-5-7-17(8-6-15)23-18(20,21)22/h1-8,16,24H,9-12H2
InChIKeyDBGNEWOCFUCAJB-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.87
LogP ≤ 56.09
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-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 123681548
1-[4-(2-chloroethenyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 54491632
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-[4-(3-methylbutyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702461
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
CID 67758972
1-[4-(3-methylidenepentyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 22131651
4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
CID 54733022
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
1-(4-hex-5-enylcyclohex-3-en-1-yl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 21464592
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The IUPAC name of 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane (CID 123473619) is 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane.
What is the SMILES notation for 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The canonical SMILES for 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane is FC(F)(F)Oc1ccc(-c2ccc(C3CC[SiH](Cl)CC3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
The InChIKey is DBGNEWOCFUCAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3OSi/c19-24-11-9-16(10-12-24)14-3-1-13(2-4-14)15-5-7-17(8-6-15)23-18(20,21)22/h1-8,16,24H,9-12H2.
What are the key properties of 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane?
1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane has a molecular weight of 370.87 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane is sourced from PubChem (CID 123473619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).