chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane

C7H11ClF6OSi — CID 173043231

IUPACchloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane
SMILESCCCOC(F)(F)C(F)(F)C(F)(F)[SiH](C)Cl
InChIInChI=1S/C7H11ClF6OSi/c1-3-4-15-6(11,12)5(9,10)7(13,14)16(2)8/h16H,3-4H2,1-2H3
InChIKeySIMJXRJXMBEAKG-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.41
Rot. Bonds6

About chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane

chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane (PubChem CID 173043231) has the molecular formula C7H11ClF6OSi and a molecular weight of 288.69 g/mol. Its IUPAC name is chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane.

Molecular Properties

Compound Namechloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane
PubChem CID173043231
Molecular FormulaC7H11ClF6OSi
Molecular Weight288.69 g/mol
Exact Mass288.02
IUPAC Namechloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane
SMILESCCCOC(F)(F)C(F)(F)C(F)(F)[SiH](C)Cl
InChIInChI=1S/C7H11ClF6OSi/c1-3-4-15-6(11,12)5(9,10)7(13,14)16(2)8/h16H,3-4H2,1-2H3
InChIKeySIMJXRJXMBEAKG-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.41
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-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

1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
dichloro-(1-fluoro-1-propoxybutyl)silane
CID 173413452
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
butane;trichloro(fluoro)methane
CID 159264115
chloro-(3-ethoxy-1,1,3,3-tetrafluoropropyl)-methylsilane
CID 173043236
4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
CID 121403285
1-(1,1-dipropoxyethoxy)propane
CID 21433420

Frequently Asked Questions

What is the IUPAC name of chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane?
The IUPAC name of chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane (CID 173043231) is chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane.
What is the SMILES notation for chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane?
The canonical SMILES for chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane is CCCOC(F)(F)C(F)(F)C(F)(F)[SiH](C)Cl.
What is the InChIKey of chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane?
The InChIKey is SIMJXRJXMBEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF6OSi/c1-3-4-15-6(11,12)5(9,10)7(13,14)16(2)8/h16H,3-4H2,1-2H3.
What are the key properties of chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane?
chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane has a molecular weight of 288.69 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane is sourced from PubChem (CID 173043231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).