9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene

C18H19F17 — CID 58419035

IUPAC9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene
SMILESC=CC(CC(CC(CC(F)(F)CC(F)(F)CC(C)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H19F17/c1-3-9(15(24,25)26)4-10(16(27,28)29)5-11(17(30,31)32)6-13(20,21)8-14(22,23)7-12(2,19)18(33,34)35/h3,9-11H,1,4-8H2,2H3
InChIKeyCCOQJFSIYDDILJ-UHFFFAOYSA-N
MW558.32 g/mol
LogP9.22
Rot. Bonds11

About 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene

9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene (PubChem CID 58419035) has the molecular formula C18H19F17 and a molecular weight of 558.32 g/mol. Its IUPAC name is 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene.

Molecular Properties

Compound Name9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene
PubChem CID58419035
Molecular FormulaC18H19F17
Molecular Weight558.32 g/mol
Exact Mass558.12
IUPAC Name9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene
SMILESC=CC(CC(CC(CC(F)(F)CC(F)(F)CC(C)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H19F17/c1-3-9(15(24,25)26)4-10(16(27,28)29)5-11(17(30,31)32)6-13(20,21)8-14(22,23)7-12(2,19)18(33,34)35/h3,9-11H,1,4-8H2,2H3
InChIKeyCCOQJFSIYDDILJ-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.32
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene?
The IUPAC name of 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene (CID 58419035) is 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene.
What is the SMILES notation for 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene?
The canonical SMILES for 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene is C=CC(CC(CC(CC(F)(F)CC(F)(F)CC(C)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene?
The InChIKey is CCOQJFSIYDDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F17/c1-3-9(15(24,25)26)4-10(16(27,28)29)5-11(17(30,31)32)6-13(20,21)8-14(22,23)7-12(2,19)18(33,34)35/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene?
9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene has a molecular weight of 558.32 g/mol, XLogP of 9.22, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradec-1-ene is sourced from PubChem (CID 58419035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).