1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane

C18H26ClF3Si — CID 139789212

IUPAC1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane
SMILESCCCCC[Si]1(Cl)CCC(CCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H26ClF3Si/c1-2-3-4-9-23(19)10-7-14(8-11-23)5-6-15-12-16(20)18(22)17(21)13-15/h12-14H,2-11H2,1H3
InChIKeyPROBWMLAYZNRER-UHFFFAOYSA-N
MW362.94 g/mol
LogP6.82
Rot. Bonds7

About 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane

1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane (PubChem CID 139789212) has the molecular formula C18H26ClF3Si and a molecular weight of 362.94 g/mol. Its IUPAC name is 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane.

Molecular Properties

Compound Name1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane
PubChem CID139789212
Molecular FormulaC18H26ClF3Si
Molecular Weight362.94 g/mol
Exact Mass362.14
IUPAC Name1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane
SMILESCCCCC[Si]1(Cl)CCC(CCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C18H26ClF3Si/c1-2-3-4-9-23(19)10-7-14(8-11-23)5-6-15-12-16(20)18(22)17(21)13-15/h12-14H,2-11H2,1H3
InChIKeyPROBWMLAYZNRER-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.94
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

2-[bromo(difluoro)methyl]-1,3-difluoro-5-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 20653978
4-pentyl-1-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]-2,6,7-trioxabicyclo[2.2.2]octane
CID 70810857
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 22446764
1,2,3-trifluoro-5-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]benzene
CID 67589901
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 67588710
1,2,3-trifluoro-5-[2-[4-(4-hept-4-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54493885
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2,6-difluorobenzonitrile
CID 67895957
1-chloro-4-(4-chlorophenyl)-1-heptylsilinane
CID 139789205
2-[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967211
5-[2-(1-cyclohexyl-4-hexylcyclohexyl)ethyl]-1,2,3-trifluorobenzene
CID 67923341

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane?
The IUPAC name of 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane (CID 139789212) is 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane.
What is the SMILES notation for 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane?
The canonical SMILES for 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane is CCCCC[Si]1(Cl)CCC(CCc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane?
The InChIKey is PROBWMLAYZNRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClF3Si/c1-2-3-4-9-23(19)10-7-14(8-11-23)5-6-15-12-16(20)18(22)17(21)13-15/h12-14H,2-11H2,1H3.
What are the key properties of 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane?
1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane has a molecular weight of 362.94 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-pentyl-4-[2-(3,4,5-trifluorophenyl)ethyl]silinane is sourced from PubChem (CID 139789212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).