[4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane

C9H13F7OSi — CID 173394999

IUPAC[4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane
SMILESCC(C)(CCC1(F)C(F)(F)C(F)(F)C1(F)F)O[SiH3]
InChIInChI=1S/C9H13F7OSi/c1-5(2,17-18)3-4-6(10)7(11,12)9(15,16)8(6,13)14/h3-4H2,1-2,18H3
InChIKeyASNRFZBBHAFTJB-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.47
Rot. Bonds4

About [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane

[4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane (PubChem CID 173394999) has the molecular formula C9H13F7OSi and a molecular weight of 298.27 g/mol. Its IUPAC name is [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane.

Molecular Properties

Compound Name[4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane
PubChem CID173394999
Molecular FormulaC9H13F7OSi
Molecular Weight298.27 g/mol
Exact Mass298.06
IUPAC Name[4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane
SMILESCC(C)(CCC1(F)C(F)(F)C(F)(F)C1(F)F)O[SiH3]
InChIInChI=1S/C9H13F7OSi/c1-5(2,17-18)3-4-6(10)7(11,12)9(15,16)8(6,13)14/h3-4H2,1-2,18H3
InChIKeyASNRFZBBHAFTJB-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane?
The IUPAC name of [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane (CID 173394999) is [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane.
What is the SMILES notation for [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane?
The canonical SMILES for [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane is CC(C)(CCC1(F)C(F)(F)C(F)(F)C1(F)F)O[SiH3].
What is the InChIKey of [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane?
The InChIKey is ASNRFZBBHAFTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7OSi/c1-5(2,17-18)3-4-6(10)7(11,12)9(15,16)8(6,13)14/h3-4H2,1-2,18H3.
What are the key properties of [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane?
[4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane has a molecular weight of 298.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,2,3,3,4,4-heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane is sourced from PubChem (CID 173394999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).