4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane

C17H25ClF2OSi — CID 67566473

IUPAC4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane
SMILESCCCCC(OC)[Si]1(F)CCC(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C17H25ClF2OSi/c1-3-4-5-17(21-2)22(20)10-8-13(9-11-22)14-6-7-15(18)16(19)12-14/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyKOIFENMAESUEPD-UHFFFAOYSA-N
MW346.92 g/mol
LogP6.02
Rot. Bonds6

About 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane

4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane (PubChem CID 67566473) has the molecular formula C17H25ClF2OSi and a molecular weight of 346.92 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane
PubChem CID67566473
Molecular FormulaC17H25ClF2OSi
Molecular Weight346.92 g/mol
Exact Mass346.13
IUPAC Name4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane
SMILESCCCCC(OC)[Si]1(F)CCC(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C17H25ClF2OSi/c1-3-4-5-17(21-2)22(20)10-8-13(9-11-22)14-6-7-15(18)16(19)12-14/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyKOIFENMAESUEPD-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.92
LogP ≤ 56.02
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

2-(4-Chlorophenyl)ethanol, dimethylpentafluorophenylsilyl ether
CID 91738936
[3-(4-Chlorophenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492771
[4-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]-trimethylsilane
CID 162406459
1-Chloro-4-[2,3,3-trifluoro-1-(2-methoxyethyl)-2-propenyl]benzene
CID 12056647
1-Chloro-4-[(2E)-2,3-difluoro-1-(2-methoxyethyl)-2-propenyl]benzene
CID 12056648
1-chloro-4-[(Z)-1,2-difluoro-5-methoxypent-1-en-3-yl]benzene
CID 18678062
4-(4-Chloro-3,5-difluorophenyl)-1-methyl-1-[4-(2-methylpropyl)cyclohexyl]silinane
CID 19380786
1-Chloro-2-fluoro-4-[4-(4-methoxybutyl)cyclohexyl]benzene
CID 20084045
1-Chloro-2-fluoro-4-[4-[4-(2-methoxyethyl)cyclohexyl]cyclohexyl]benzene
CID 20084047
1-Chloro-4-[4-(2-ethoxyethyl)cyclohexyl]-2-fluorobenzene
CID 20084057
1-Chloro-4-[4-(3-ethoxypropyl)cyclohexyl]-2-fluorobenzene
CID 20084058
1-Chloro-2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]benzene
CID 20084080

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane (CID 67566473) is 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane is CCCCC(OC)[Si]1(F)CCC(c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane?
The InChIKey is KOIFENMAESUEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClF2OSi/c1-3-4-5-17(21-2)22(20)10-8-13(9-11-22)14-6-7-15(18)16(19)12-14/h6-7,12-13,17H,3-5,8-11H2,1-2H3.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane?
4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane has a molecular weight of 346.92 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-1-fluoro-1-(1-methoxypentyl)silinane is sourced from PubChem (CID 67566473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).