(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane

C16H26F9ISi — CID 175836380

IUPAC(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C16H26F9ISi/c1-9(2)27(10(3)4,11(5)6)8-12(26)7-13(17,18)14(19,20)15(21,22)16(23,24)25/h9-12H,7-8H2,1-6H3
InChIKeyWRODXCDFBPCFTC-UHFFFAOYSA-N
MW544.36 g/mol
LogP8.33
Rot. Bonds9

About (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane

(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane (PubChem CID 175836380) has the molecular formula C16H26F9ISi and a molecular weight of 544.36 g/mol. Its IUPAC name is (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane
PubChem CID175836380
Molecular FormulaC16H26F9ISi
Molecular Weight544.36 g/mol
Exact Mass544.07
IUPAC Name(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C16H26F9ISi/c1-9(2)27(10(3)4,11(5)6)8-12(26)7-13(17,18)14(19,20)15(21,22)16(23,24)25/h9-12H,7-8H2,1-6H3
InChIKeyWRODXCDFBPCFTC-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.36
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,10,10,11,11,12,12,13,13,13-octadecafluoro-6,8-diiodotridecane
CID 138396289
(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
CID 97290812
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane
CID 138396324
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluoro-10,15-diiodotetracosane
CID 138396333
(2S)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
CID 97290955
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiododotetracontane
CID 165366348
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodohexadecane
CID 138396291
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluoro-7-iodotetradecane
CID 138396298
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-3-iodododecan-2-ol
CID 134975406
1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
CID 88505098

Frequently Asked Questions

What is the IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane?
The IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane (CID 175836380) is (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane?
The canonical SMILES for (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane is CC(C)[Si](CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane?
The InChIKey is WRODXCDFBPCFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F9ISi/c1-9(2)27(10(3)4,11(5)6)8-12(26)7-13(17,18)14(19,20)15(21,22)16(23,24)25/h9-12H,7-8H2,1-6H3.
What are the key properties of (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane?
(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane has a molecular weight of 544.36 g/mol, XLogP of 8.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 175836380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).