4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane

C28H39FSi — CID 54468401

IUPAC4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(C2CCC(CCc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1
InChIInChI=1S/C28H39FSi/c1-2-19-30-20-17-27(18-21-30)25-11-7-23(8-12-25)4-3-22-5-9-24(10-6-22)26-13-15-28(29)16-14-26/h5-6,9-10,13-16,23,25,27,30H,2-4,7-8,11-12,17-21H2,1H3
InChIKeyXGOVNAWWLHNCOE-UHFFFAOYSA-N
MW422.70 g/mol
LogP8.28
Rot. Bonds7

About 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane

4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane (PubChem CID 54468401) has the molecular formula C28H39FSi and a molecular weight of 422.70 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
PubChem CID54468401
Molecular FormulaC28H39FSi
Molecular Weight422.70 g/mol
Exact Mass422.28
IUPAC Name4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(C2CCC(CCc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1
InChIInChI=1S/C28H39FSi/c1-2-19-30-20-17-27(18-21-30)25-11-7-23(8-12-25)4-3-22-5-9-24(10-6-22)26-13-15-28(29)16-14-26/h5-6,9-10,13-16,23,25,27,30H,2-4,7-8,11-12,17-21H2,1H3
InChIKeyXGOVNAWWLHNCOE-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane?
The IUPAC name of 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane (CID 54468401) is 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane.
What is the SMILES notation for 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane?
The canonical SMILES for 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane is CCC[SiH]1CCC(C2CCC(CCc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane?
The InChIKey is XGOVNAWWLHNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FSi/c1-2-19-30-20-17-27(18-21-30)25-11-7-23(8-12-25)4-3-22-5-9-24(10-6-22)26-13-15-28(29)16-14-26/h5-6,9-10,13-16,23,25,27,30H,2-4,7-8,11-12,17-21H2,1H3.
What are the key properties of 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane?
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane has a molecular weight of 422.70 g/mol, XLogP of 8.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane is sourced from PubChem (CID 54468401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).