5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene

C17H9F25 — CID 174964186

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene
SMILESCCC=C(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H9F25/c1-3-4-5(2)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)42/h4H,3H2,1-2H3
InChIKeyKMWLXTYAOWRLJR-UHFFFAOYSA-N
MW688.21 g/mol
LogP9.89
Rot. Bonds12

About 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene (PubChem CID 174964186) has the molecular formula C17H9F25 and a molecular weight of 688.21 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene
PubChem CID174964186
Molecular FormulaC17H9F25
Molecular Weight688.21 g/mol
Exact Mass688.03
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene
SMILESCCC=C(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H9F25/c1-3-4-5(2)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)42/h4H,3H2,1-2H3
InChIKeyKMWLXTYAOWRLJR-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.21
LogP ≤ 59.89
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'}

Analyze 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene (CID 174964186) is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene is CCC=C(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene?
The InChIKey is KMWLXTYAOWRLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F25/c1-3-4-5(2)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)42/h4H,3H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene?
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene has a molecular weight of 688.21 g/mol, XLogP of 9.89, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-pentacosafluoro-4-methylhexadec-3-ene is sourced from PubChem (CID 174964186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).