(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane

C13H13F17OSi — CID 173228703

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane
SMILESCC(C)(CO[SiH3])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C13H13F17OSi/c1-6(2,3-31-32)8(19,20)10(23,24)12(27,28)13(29,30)11(25,26)9(21,22)7(17,18)4(14)5(15)16/h4-5H,3H2,1-2,32H3
InChIKeyKILXOIORJNAKLZ-UHFFFAOYSA-N
MW536.30 g/mol
LogP5.36
Rot. Bonds11

About (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane

(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane (PubChem CID 173228703) has the molecular formula C13H13F17OSi and a molecular weight of 536.30 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane
PubChem CID173228703
Molecular FormulaC13H13F17OSi
Molecular Weight536.30 g/mol
Exact Mass536.05
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane
SMILESCC(C)(CO[SiH3])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C13H13F17OSi/c1-6(2,3-31-32)8(19,20)10(23,24)12(27,28)13(29,30)11(25,26)9(21,22)7(17,18)4(14)5(15)16/h4-5H,3H2,1-2,32H3
InChIKeyKILXOIORJNAKLZ-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.30
LogP ≤ 55.36
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'}

Analyze (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane (CID 173228703) is (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane is CC(C)(CO[SiH3])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane?
The InChIKey is KILXOIORJNAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F17OSi/c1-6(2,3-31-32)8(19,20)10(23,24)12(27,28)13(29,30)11(25,26)9(21,22)7(17,18)4(14)5(15)16/h4-5H,3H2,1-2,32H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane?
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane has a molecular weight of 536.30 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-heptadecafluoro-2,2-dimethylundecoxy)silane is sourced from PubChem (CID 173228703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).