1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane

C17H13F17OSi — CID 174870139

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane
SMILESCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[Si](=O)c1ccccc1
InChIInChI=1S/C10H5F17.C7H8OSi/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;1-9(8)7-5-3-2-4-6-7/h2H2,1H3;2-6H,1H3
InChIKeyBUKDSJWAADQTTF-UHFFFAOYSA-N
MW584.34 g/mol
LogP7.35
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane (PubChem CID 174870139) has the molecular formula C17H13F17OSi and a molecular weight of 584.34 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane
PubChem CID174870139
Molecular FormulaC17H13F17OSi
Molecular Weight584.34 g/mol
Exact Mass584.05
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane
SMILESCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[Si](=O)c1ccccc1
InChIInChI=1S/C10H5F17.C7H8OSi/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;1-9(8)7-5-3-2-4-6-7/h2H2,1H3;2-6H,1H3
InChIKeyBUKDSJWAADQTTF-UHFFFAOYSA-N
XLogP7.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.34
LogP ≤ 57.35
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'}

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
ethane;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-pentacosafluorotetradecane
CID 142493287
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine
CID 10885632
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenylundecan-1-one
CID 11146059
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane;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-hentriacontafluoro-17-methyloctadecane;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-heptacosafluoro-15-methylhexadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-methylundecane;1,1,1,2,2,3,3-heptafluoro-5-methylhexane;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-nonacosafluoro-16-methylheptadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-methyldodecane;1,1,1,2,2,3,3,4,4-nonafluoro-6-methylheptane;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-pentacosafluoro-14-methylpentadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluorotridecane;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-methyloctane
CID 157372660
N,N'-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N,N'-bis[(1S)-1-phenylethyl]ethane-1,2-diamine
CID 11815681
2-phenylpropyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
CID 11815207
[(1S)-1-phenylethyl] 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
CID 11227162
(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765058
(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene
CID 132503955
phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane
CID 10855350

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane (CID 174870139) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane is CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[Si](=O)c1ccccc1.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane?
The InChIKey is BUKDSJWAADQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F17.C7H8OSi/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;1-9(8)7-5-3-2-4-6-7/h2H2,1H3;2-6H,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane has a molecular weight of 584.34 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;methyl-oxo-phenylsilane is sourced from PubChem (CID 174870139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).