9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene

C15H16F14 — CID 58901199

IUPAC9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene
SMILESC=CCC(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H16F14/c1-2-5-9(8-11(17,14(24,25)26)15(27,28)29)6-3-4-7-10(16,12(18,19)20)13(21,22)23/h2,9H,1,3-8H2
InChIKeySCJXQJGYLWFNHE-UHFFFAOYSA-N
MW462.27 g/mol
LogP7.80
Rot. Bonds9

About 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene

9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene (PubChem CID 58901199) has the molecular formula C15H16F14 and a molecular weight of 462.27 g/mol. Its IUPAC name is 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene.

Molecular Properties

Compound Name9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene
PubChem CID58901199
Molecular FormulaC15H16F14
Molecular Weight462.27 g/mol
Exact Mass462.10
IUPAC Name9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene
SMILESC=CCC(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H16F14/c1-2-5-9(8-11(17,14(24,25)26)15(27,28)29)6-3-4-7-10(16,12(18,19)20)13(21,22)23/h2,9H,1,3-8H2
InChIKeySCJXQJGYLWFNHE-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.27
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene?
The IUPAC name of 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene (CID 58901199) is 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene.
What is the SMILES notation for 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene?
The canonical SMILES for 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene is C=CCC(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene?
The InChIKey is SCJXQJGYLWFNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F14/c1-2-5-9(8-11(17,14(24,25)26)15(27,28)29)6-3-4-7-10(16,12(18,19)20)13(21,22)23/h2,9H,1,3-8H2.
What are the key properties of 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene?
9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene has a molecular weight of 462.27 g/mol, XLogP of 7.80, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,10,10-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene is sourced from PubChem (CID 58901199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).