3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane

C16H26F2O3Si — CID 154500811

IUPAC3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane
SMILESCC(C)OC(O[SiH2]CCCc1cc(F)cc(F)c1)OC(C)C
InChIInChI=1S/C16H26F2O3Si/c1-11(2)19-16(20-12(3)4)21-22-7-5-6-13-8-14(17)10-15(18)9-13/h8-12,16H,5-7,22H2,1-4H3
InChIKeyUKAWGPAKJIVPJV-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.55
Rot. Bonds10

About 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane

3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane (PubChem CID 154500811) has the molecular formula C16H26F2O3Si and a molecular weight of 332.46 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane
PubChem CID154500811
Molecular FormulaC16H26F2O3Si
Molecular Weight332.46 g/mol
Exact Mass332.16
IUPAC Name3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane
SMILESCC(C)OC(O[SiH2]CCCc1cc(F)cc(F)c1)OC(C)C
InChIInChI=1S/C16H26F2O3Si/c1-11(2)19-16(20-12(3)4)21-22-7-5-6-13-8-14(17)10-15(18)9-13/h8-12,16H,5-7,22H2,1-4H3
InChIKeyUKAWGPAKJIVPJV-UHFFFAOYSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 154500752
diethoxymethoxy-[(3,5-difluorophenyl)methyl]silane
CID 154058701
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90171446
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
1-[6-(diethoxymethoxy)pentadecyl]-3,5-difluorobenzene
CID 150484327
1-[5-[di(propan-2-yloxy)methoxy]tetradecyl]-3-fluorobenzene
CID 151769004
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
CID 162546346
1-[7-(2-ethoxypropan-2-yl)pentadecyl]-3,5-difluorobenzene
CID 150994568

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane?
The IUPAC name of 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane (CID 154500811) is 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane.
What is the SMILES notation for 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane?
The canonical SMILES for 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane is CC(C)OC(O[SiH2]CCCc1cc(F)cc(F)c1)OC(C)C.
What is the InChIKey of 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane?
The InChIKey is UKAWGPAKJIVPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O3Si/c1-11(2)19-16(20-12(3)4)21-22-7-5-6-13-8-14(17)10-15(18)9-13/h8-12,16H,5-7,22H2,1-4H3.
What are the key properties of 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane?
3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane has a molecular weight of 332.46 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane is sourced from PubChem (CID 154500811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).