(Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene

C19H16F21I — CID 101097286

IUPAC(Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene
SMILESCCCC/C=C(\I)CCCC(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/C19H16F21I/c1-2-3-4-6-9(41)7-5-8-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h6H,2-5,7-8H2,1H3/b9-6-
InChIKeyZDRAKJWRSGIAGT-TWGQIWQCSA-N
MW770.20 g/mol
LogP10.95
Rot. Bonds15

About (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene

(Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene (PubChem CID 101097286) has the molecular formula C19H16F21I and a molecular weight of 770.20 g/mol. Its IUPAC name is (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene.

Molecular Properties

Compound Name(Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene
PubChem CID101097286
Molecular FormulaC19H16F21I
Molecular Weight770.20 g/mol
Exact Mass770.00
IUPAC Name(Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene
SMILESCCCC/C=C(\I)CCCC(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/C19H16F21I/c1-2-3-4-6-9(41)7-5-8-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h6H,2-5,7-8H2,1H3/b9-6-
InChIKeyZDRAKJWRSGIAGT-TWGQIWQCSA-N
XLogP10.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.20
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene with MolForge

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Related Compounds

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CID 22002799
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadec-7-ene
CID 11093095
2,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)undecanoic acid
CID 88617652
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205

Frequently Asked Questions

What is the IUPAC name of (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene?
The IUPAC name of (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene (CID 101097286) is (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene.
What is the SMILES notation for (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene?
The canonical SMILES for (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene is CCCC/C=C(\I)CCCC(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 (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene?
The InChIKey is ZDRAKJWRSGIAGT-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H16F21I/c1-2-3-4-6-9(41)7-5-8-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h6H,2-5,7-8H2,1H3/b9-6-.
What are the key properties of (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene?
(Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene has a molecular weight of 770.20 g/mol, XLogP of 10.95, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluoro-6-iodononadec-5-ene is sourced from PubChem (CID 101097286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).