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

C14H18F6O2Si — CID 90172351

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC
InChIInChI=1S/C14H18F6O2Si/c1-21-23(3,22-2)6-4-5-10-7-11(13(15,16)17)9-12(8-10)14(18,19)20/h7-9H,4-6H2,1-3H3
InChIKeyOVIXGLZPPLIGCI-UHFFFAOYSA-N
MW360.37 g/mol
LogP5.02
Rot. Bonds6

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

3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane (PubChem CID 90172351) has the molecular formula C14H18F6O2Si and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
PubChem CID90172351
Molecular FormulaC14H18F6O2Si
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC
InChIInChI=1S/C14H18F6O2Si/c1-21-23(3,22-2)6-4-5-10-7-11(13(15,16)17)9-12(8-10)14(18,19)20/h7-9H,4-6H2,1-3H3
InChIKeyOVIXGLZPPLIGCI-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
CID 90175393
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-diethyl-methoxysilane
CID 90172147
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
CID 90174980
[diacetyloxy-[4-[3,5-bis(trifluoromethyl)phenyl]butyl]silyl] acetate
CID 90173511
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
CID 90171216
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane (CID 90172351) is 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane is CO[Si](C)(CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane?
The InChIKey is OVIXGLZPPLIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6O2Si/c1-21-23(3,22-2)6-4-5-10-7-11(13(15,16)17)9-12(8-10)14(18,19)20/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane?
3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane has a molecular weight of 360.37 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane is sourced from PubChem (CID 90172351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).