5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane

C16H22F6O2Si — CID 90175393

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC
InChIInChI=1S/C16H22F6O2Si/c1-23-25(3,24-2)8-6-4-5-7-12-9-13(15(17,18)19)11-14(10-12)16(20,21)22/h9-11H,4-8H2,1-3H3
InChIKeyGSRUZKZRVQCGAR-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.80
Rot. Bonds8

About 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane

5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane (PubChem CID 90175393) has the molecular formula C16H22F6O2Si and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
PubChem CID90175393
Molecular FormulaC16H22F6O2Si
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC
InChIInChI=1S/C16H22F6O2Si/c1-23-25(3,24-2)8-6-4-5-7-12-9-13(15(17,18)19)11-14(10-12)16(20,21)22/h9-11H,4-8H2,1-3H3
InChIKeyGSRUZKZRVQCGAR-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
CID 90174980
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
CID 90172147
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
[diacetyloxy-[4-[3,5-bis(trifluoromethyl)phenyl]butyl]silyl] acetate
CID 90173511
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
diethoxy-methyl-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90172096
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90175181

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane (CID 90175393) is 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane is CO[Si](C)(CCCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane?
The InChIKey is GSRUZKZRVQCGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O2Si/c1-23-25(3,24-2)8-6-4-5-7-12-9-13(15(17,18)19)11-14(10-12)16(20,21)22/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane?
5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane has a molecular weight of 388.42 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane is sourced from PubChem (CID 90175393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).