bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane

C7H6F12O2Si — CID 173028343

IUPACbis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane
SMILESC[SiH](OC(F)(C(F)F)C(F)(F)F)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F12O2Si/c1-22(20-4(12,2(8)9)6(14,15)16)21-5(13,3(10)11)7(17,18)19/h2-3,22H,1H3
InChIKeySCZLZRAXJBKEPO-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.86
Rot. Bonds6

About bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane

bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane (PubChem CID 173028343) has the molecular formula C7H6F12O2Si and a molecular weight of 378.19 g/mol. Its IUPAC name is bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane.

Molecular Properties

Compound Namebis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane
PubChem CID173028343
Molecular FormulaC7H6F12O2Si
Molecular Weight378.19 g/mol
Exact Mass377.99
IUPAC Namebis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane
SMILESC[SiH](OC(F)(C(F)F)C(F)(F)F)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F12O2Si/c1-22(20-4(12,2(8)9)6(14,15)16)21-5(13,3(10)11)7(17,18)19/h2-3,22H,1H3
InChIKeySCZLZRAXJBKEPO-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 90262191
tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate
CID 53443426
1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine
CID 159740504
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid
CID 87970448
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 87919147
1,1,1,2,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate
CID 53406027
5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
CID 14093190
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
[bromo(difluoro)methyl]-dimethylsilane
CID 174103865
2-ethoxy-1,1,1,2,3,5,5,5-octafluoropentane
CID 58114509
3-dimethylsilyloxy-1,1,1,2,2-pentafluoro-N,N,4,4,5-pentamethylhexan-3-amine
CID 152743593
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane?
The IUPAC name of bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane (CID 173028343) is bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane.
What is the SMILES notation for bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane?
The canonical SMILES for bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane is C[SiH](OC(F)(C(F)F)C(F)(F)F)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane?
The InChIKey is SCZLZRAXJBKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F12O2Si/c1-22(20-4(12,2(8)9)6(14,15)16)21-5(13,3(10)11)7(17,18)19/h2-3,22H,1H3.
What are the key properties of bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane?
bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane has a molecular weight of 378.19 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-methylsilane is sourced from PubChem (CID 173028343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).