2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane

C11H16F8OSi — CID 173308842

IUPAC2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane
SMILESCC([SiH]1CCCCO1)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F8OSi/c1-7(21-6-4-3-5-20-21)8(2,12)9(13,14)10(15,16)11(17,18)19/h7,21H,3-6H2,1-2H3
InChIKeyFZQJVDKNHUCKFK-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.47
Rot. Bonds4

About 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane

2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane (PubChem CID 173308842) has the molecular formula C11H16F8OSi and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane.

Molecular Properties

Compound Name2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane
PubChem CID173308842
Molecular FormulaC11H16F8OSi
Molecular Weight344.32 g/mol
Exact Mass344.08
IUPAC Name2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane
SMILESCC([SiH]1CCCCO1)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F8OSi/c1-7(21-6-4-3-5-20-21)8(2,12)9(13,14)10(15,16)11(17,18)19/h7,21H,3-6H2,1-2H3
InChIKeyFZQJVDKNHUCKFK-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.47
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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Related Compounds

2-(3-methylbutan-2-yl)oxasilinane
CID 173453680
3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol
CID 173333370
2-(3,4,4-trifluorobutan-2-yl)oxasilinane
CID 173009517
1-(oxasilinan-2-yl)propan-1-amine
CID 173013581
2-(1-fluoroprop-2-enyl)oxasilinane
CID 173079753
1-(oxasilinan-2-yl)ethane-1,2-diol
CID 173483101
2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane
CID 175187944
2-hept-6-en-2-yloxasilinane
CID 173367365
2-(2,3,3-trimethylbutan-2-yl)oxasilinane
CID 173240238
2-(2-methylpent-1-en-3-yl)oxasilinane
CID 173388284
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
2-(2-chlorobutan-2-yl)oxasilinane
CID 173289645

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane?
The IUPAC name of 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane (CID 173308842) is 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane.
What is the SMILES notation for 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane?
The canonical SMILES for 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane is CC([SiH]1CCCCO1)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane?
The InChIKey is FZQJVDKNHUCKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8OSi/c1-7(21-6-4-3-5-20-21)8(2,12)9(13,14)10(15,16)11(17,18)19/h7,21H,3-6H2,1-2H3.
What are the key properties of 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane?
2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane has a molecular weight of 344.32 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane is sourced from PubChem (CID 173308842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).