1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane

C15H5F27O — CID 170095555

IUPAC1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)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)F)C(F)(F)F
InChIInChI=1S/C15H5F27O/c1-43-2-3(16,17)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42/h2H2,1H3
InChIKeyMPLVKNYUTHKPSC-UHFFFAOYSA-N
MW714.15 g/mol
LogP8.82
Rot. Bonds12

About 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane (PubChem CID 170095555) has the molecular formula C15H5F27O and a molecular weight of 714.15 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
PubChem CID170095555
Molecular FormulaC15H5F27O
Molecular Weight714.15 g/mol
Exact Mass713.99
IUPAC Name1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)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)F)C(F)(F)F
InChIInChI=1S/C15H5F27O/c1-43-2-3(16,17)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42/h2H2,1H3
InChIKeyMPLVKNYUTHKPSC-UHFFFAOYSA-N
XLogP8.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.15
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane with MolForge

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Related Compounds

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1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonoxy]-2-(trifluoromethyl)nonane
CID 141408599
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
CID 158825980
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane
CID 25261174
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[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl]-trimethoxysilane
CID 25261329
1,1,1,2,2,3,3,4,5,5-decafluoro-7-methoxy-4-(trifluoromethyl)heptane
CID 170095797
1,1,1,2,2,3,3,4,4-nonafluoro-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 102378165
heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 91087406
2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane?
The IUPAC name of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane (CID 170095555) is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane.
What is the SMILES notation for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane?
The canonical SMILES for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane is COCC(F)(F)C(F)(F)C(F)(F)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)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane?
The InChIKey is MPLVKNYUTHKPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F27O/c1-43-2-3(16,17)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42/h2H2,1H3.
What are the key properties of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane?
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane has a molecular weight of 714.15 g/mol, XLogP of 8.82, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane is sourced from PubChem (CID 170095555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).