2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane

C14H27F3O2Si2 — CID 175187944

IUPAC2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane
SMILESCC(F)(C(F)F)C(C)(C[SiH]1CCCCO1)[SiH]1CCCCO1
InChIInChI=1S/C14H27F3O2Si2/c1-13(14(2,17)12(15)16,21-10-6-4-8-19-21)11-20-9-5-3-7-18-20/h12,20-21H,3-11H2,1-2H3
InChIKeyWAQPLKLZBMQVQQ-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.81
Rot. Bonds5

About 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane

2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane (PubChem CID 175187944) has the molecular formula C14H27F3O2Si2 and a molecular weight of 340.53 g/mol. Its IUPAC name is 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane.

Molecular Properties

Compound Name2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane
PubChem CID175187944
Molecular FormulaC14H27F3O2Si2
Molecular Weight340.53 g/mol
Exact Mass340.15
IUPAC Name2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane
SMILESCC(F)(C(F)F)C(C)(C[SiH]1CCCCO1)[SiH]1CCCCO1
InChIInChI=1S/C14H27F3O2Si2/c1-13(14(2,17)12(15)16,21-10-6-4-8-19-21)11-20-9-5-3-7-18-20/h12,20-21H,3-11H2,1-2H3
InChIKeyWAQPLKLZBMQVQQ-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.81
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

2-(2-chlorobutan-2-yl)oxasilinane
CID 173289645
2-(2,3,3-trimethylbutan-2-yl)oxasilinane
CID 173240238
3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol
CID 173333370
2-(1,1,2-trifluoropentan-3-yl)oxasilinane
CID 175589456
2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane
CID 173308842
N-methylmethanamine;propan-1-amine;2-propyloxasilinane
CID 173299792
2-(3,4,4-trifluorobutan-2-yl)oxasilinane
CID 173009517
2-hydroxyoxasilinane;1,1,2-trifluoropropane
CID 175004232
azane;2-prop-2-enyloxasilinane
CID 173003655
1,2,2,6,6-pentamethylpiperidine;2-propyloxasilinane
CID 174686072
1-(oxasilinan-2-yl)propan-1-one
CID 173082161
2-(2-methylpent-1-en-3-yl)oxasilinane
CID 173388284

Frequently Asked Questions

What is the IUPAC name of 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane?
The IUPAC name of 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane (CID 175187944) is 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane.
What is the SMILES notation for 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane?
The canonical SMILES for 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane is CC(F)(C(F)F)C(C)(C[SiH]1CCCCO1)[SiH]1CCCCO1.
What is the InChIKey of 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane?
The InChIKey is WAQPLKLZBMQVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O2Si2/c1-13(14(2,17)12(15)16,21-10-6-4-8-19-21)11-20-9-5-3-7-18-20/h12,20-21H,3-11H2,1-2H3.
What are the key properties of 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane?
2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane has a molecular weight of 340.53 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane is sourced from PubChem (CID 175187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).