CID 166065066

C27H27F30O3Si — CID 166065066

IUPAC—
SMILESCO[Si](OC)OC(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F
InChIInChI=1S/C27H27F30O3Si/c1-58-61(59-2)60-21(25(52,53)22(46,47)18(40,41)12(28)6-3-9-15(31,32)33,26(54,55)23(48,49)19(42,43)13(29)7-4-10-16(34,35)36)27(56,57)24(50,51)20(44,45)14(30)8-5-11-17(37,38)39/h12-14H,3-11H2,1-2H3
InChIKeyFVYQPKLNBPLZKV-UHFFFAOYSA-N
MW997.54 g/mol
LogP12.95
Rot. Bonds25

About CID 166065066

CID 166065066 (PubChem CID 166065066) has the molecular formula C27H27F30O3Si and a molecular weight of 997.54 g/mol.

Molecular Properties

Compound NameCID 166065066
PubChem CID166065066
Molecular FormulaC27H27F30O3Si
Molecular Weight997.54 g/mol
Exact Mass997.13
IUPAC Name—
SMILESCO[Si](OC)OC(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F
InChIInChI=1S/C27H27F30O3Si/c1-58-61(59-2)60-21(25(52,53)22(46,47)18(40,41)12(28)6-3-9-15(31,32)33,26(54,55)23(48,49)19(42,43)13(29)7-4-10-16(34,35)36)27(56,57)24(50,51)20(44,45)14(30)8-5-11-17(37,38)39/h12-14H,3-11H2,1-2H3
InChIKeyFVYQPKLNBPLZKV-UHFFFAOYSA-N
XLogP12.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.54
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 88736255
1,1,2,6,6,6-hexafluorohexane-1-thiol
CID 151631640
[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite
CID 88735724
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
[1,1,2,3,3,4,4,5,5,6,10,10,10-tridecafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)decyl] dihydrogen phosphate
CID 152762188
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,12,12,12-octadecafluorododecane-1-sulfonate;tetraethylazanium
CID 141492366
1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonate;tetraethylazanium
CID 141492276
1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
CID 139676594
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
1,1,2,2,3,3,4,4,5,9,9,9-dodecafluorononane-1-sulfonic acid;prop-2-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of CID 166065066?
The IUPAC name of CID 166065066 (CID 166065066) is not available.
What is the SMILES notation for CID 166065066?
The canonical SMILES for CID 166065066 is CO[Si](OC)OC(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCC(F)(F)F.
What is the InChIKey of CID 166065066?
The InChIKey is FVYQPKLNBPLZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F30O3Si/c1-58-61(59-2)60-21(25(52,53)22(46,47)18(40,41)12(28)6-3-9-15(31,32)33,26(54,55)23(48,49)19(42,43)13(29)7-4-10-16(34,35)36)27(56,57)24(50,51)20(44,45)14(30)8-5-11-17(37,38)39/h12-14H,3-11H2,1-2H3.
What are the key properties of CID 166065066?
CID 166065066 has a molecular weight of 997.54 g/mol, XLogP of 12.95, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166065066 is sourced from PubChem (CID 166065066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).