1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane

C15H5F25 — CID 154135019

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane
SMILESFC=C(C(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(F)(C(F)(F)F)C(F)(F)CCF
InChIInChI=1S/C15H5F25/c16-2-1-5(18,19)6(20,14(35,36)37)4(3-17)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)15(38,39)40/h3H,1-2H2
InChIKeyJFNXUVFDGLHQDU-UHFFFAOYSA-N
MW660.15 g/mol
LogP9.11
Rot. Bonds11

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane (PubChem CID 154135019) has the molecular formula C15H5F25 and a molecular weight of 660.15 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane
PubChem CID154135019
Molecular FormulaC15H5F25
Molecular Weight660.15 g/mol
Exact Mass660.00
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane
SMILESFC=C(C(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(F)(C(F)(F)F)C(F)(F)CCF
InChIInChI=1S/C15H5F25/c16-2-1-5(18,19)6(20,14(35,36)37)4(3-17)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)15(38,39)40/h3H,1-2H2
InChIKeyJFNXUVFDGLHQDU-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.15
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

7-(Difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene
CID 91718992
2-Methyl-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)-1-undecene
CID 12045644
1,1,1,2-Tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane
CID 23190442
5-Ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 54450111
4-(2,2-Difluoroethenyl)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(trifluoromethyl)heptane
CID 58915554
1,1,1,2,6,7,7,7-Octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane
CID 58915583
3-Ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene
CID 87838923
1,1,1,2,8,9,9,9-Octafluoro-4-methylidene-2,8-bis(trifluoromethyl)nonane
CID 87933698
1,1,2,2,3,4,4,5,6,6-Decafluoro-7-methylidene-3,5-bis(trifluoromethyl)cycloheptane
CID 91522154
3,3,4,4,5,5,6,6,7,7,8-Undecafluoro-8-(1,1,2,2,2-pentafluoroethyl)deca-1,9-diene
CID 91588950
7-(1,1-Difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene
CID 122436044
1,1,3,6,7,7,8,8-Octafluoro-5,5-bis(fluoromethyl)-3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-2-(trifluoromethyl)oct-1-ene
CID 132271440

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane (CID 154135019) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane is FC=C(C(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(F)(C(F)(F)F)C(F)(F)CCF.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane?
The InChIKey is JFNXUVFDGLHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F25/c16-2-1-5(18,19)6(20,14(35,36)37)4(3-17)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)15(38,39)40/h3H,1-2H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane has a molecular weight of 660.15 g/mol, XLogP of 9.11, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane is sourced from PubChem (CID 154135019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).