3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene

C15H16F8 — CID 144809560

IUPAC3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene
SMILESC=C(C)C(F)(F)C(F)(F)C(=C)C(=C)C(F)(F)C(F)(F)C(=C)CC
InChIInChI=1S/C15H16F8/c1-7-9(4)13(18,19)15(22,23)11(6)10(5)14(20,21)12(16,17)8(2)3/h2,4-7H2,1,3H3
InChIKeyLEWJVGOGOUWSDS-UHFFFAOYSA-N
MW348.28 g/mol
LogP6.18
Rot. Bonds8

About 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene

3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene (PubChem CID 144809560) has the molecular formula C15H16F8 and a molecular weight of 348.28 g/mol. Its IUPAC name is 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene.

Molecular Properties

Compound Name3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene
PubChem CID144809560
Molecular FormulaC15H16F8
Molecular Weight348.28 g/mol
Exact Mass348.11
IUPAC Name3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene
SMILESC=C(C)C(F)(F)C(F)(F)C(=C)C(=C)C(F)(F)C(F)(F)C(=C)CC
InChIInChI=1S/C15H16F8/c1-7-9(4)13(18,19)15(22,23)11(6)10(5)14(20,21)12(16,17)8(2)3/h2,4-7H2,1,3H3
InChIKeyLEWJVGOGOUWSDS-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 143831735
methane;bis(2-methylbut-1-ene)
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1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
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2-fluoro-2,3-dimethylbut-3-en-1-amine
CID 112565253
2-(trifluoromethoxy)but-1-ene
CID 90210903
ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine
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CID 142164925

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene?
The IUPAC name of 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene (CID 144809560) is 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene.
What is the SMILES notation for 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene?
The canonical SMILES for 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene is C=C(C)C(F)(F)C(F)(F)C(=C)C(=C)C(F)(F)C(F)(F)C(=C)CC.
What is the InChIKey of 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene?
The InChIKey is LEWJVGOGOUWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F8/c1-7-9(4)13(18,19)15(22,23)11(6)10(5)14(20,21)12(16,17)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene?
3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene has a molecular weight of 348.28 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene is sourced from PubChem (CID 144809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).