(13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane

C22H46F2OSi — CID 170688900

IUPAC(13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane
SMILESCC(C)OCCCC(F)(F)CCCCCCCCCCCC[Si](C)(C)C
InChIInChI=1S/C22H46F2OSi/c1-21(2)25-19-16-18-22(23,24)17-14-12-10-8-6-7-9-11-13-15-20-26(3,4)5/h21H,6-20H2,1-5H3
InChIKeyIXULAJQPWOAITG-UHFFFAOYSA-N
MW392.69 g/mol
LogP8.46
Rot. Bonds18

About (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane

(13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane (PubChem CID 170688900) has the molecular formula C22H46F2OSi and a molecular weight of 392.69 g/mol. Its IUPAC name is (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane.

Molecular Properties

Compound Name(13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane
PubChem CID170688900
Molecular FormulaC22H46F2OSi
Molecular Weight392.69 g/mol
Exact Mass392.33
IUPAC Name(13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane
SMILESCC(C)OCCCC(F)(F)CCCCCCCCCCCC[Si](C)(C)C
InChIInChI=1S/C22H46F2OSi/c1-21(2)25-19-16-18-22(23,24)17-14-12-10-8-6-7-9-11-13-15-20-26(3,4)5/h21H,6-20H2,1-5H3
InChIKeyIXULAJQPWOAITG-UHFFFAOYSA-N
XLogP8.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.69
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(1,1,1-trifluorononan-2-yloxy)silane
CID 86241060
Methyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 123561843
Trimethoxy-[2-[3-(17,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
CID 17986845
Trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane
CID 19770320
Trimethoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
CID 21335547
Methoxy-dioxido-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
CID 59974844
Trimethyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 69887080
7,7,8,8-Tetrafluoro-6-(7,7,8,8-tetrafluorotetradecan-6-yloxy)tetradecane
CID 87193214
Trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane
CID 87516168
Trimethoxy-[1-(1,1,2-trifluoroethoxy)pentadecyl]silane
CID 87697418
Trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane
CID 87697419
Trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
CID 87881208

Frequently Asked Questions

What is the IUPAC name of (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane?
The IUPAC name of (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane (CID 170688900) is (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane.
What is the SMILES notation for (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane?
The canonical SMILES for (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane is CC(C)OCCCC(F)(F)CCCCCCCCCCCC[Si](C)(C)C.
What is the InChIKey of (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane?
The InChIKey is IXULAJQPWOAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46F2OSi/c1-21(2)25-19-16-18-22(23,24)17-14-12-10-8-6-7-9-11-13-15-20-26(3,4)5/h21H,6-20H2,1-5H3.
What are the key properties of (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane?
(13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane has a molecular weight of 392.69 g/mol, XLogP of 8.46, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13,13-difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane is sourced from PubChem (CID 170688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).