1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene

C11H16F5I — CID 10642877

IUPAC1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene
SMILESCCCC(I)C(CCC)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C11H16F5I/c1-3-5-7(8(17)6-4-2)11(15,16)9(12)10(13)14/h7-8H,3-6H2,1-2H3
InChIKeySQDWCADVFDYLRP-UHFFFAOYSA-N
MW370.14 g/mol
LogP5.72
Rot. Bonds7

About 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene

1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene (PubChem CID 10642877) has the molecular formula C11H16F5I and a molecular weight of 370.14 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene
PubChem CID10642877
Molecular FormulaC11H16F5I
Molecular Weight370.14 g/mol
Exact Mass370.02
IUPAC Name1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene
SMILESCCCC(I)C(CCC)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C11H16F5I/c1-3-5-7(8(17)6-4-2)11(15,16)9(12)10(13)14/h7-8H,3-6H2,1-2H3
InChIKeySQDWCADVFDYLRP-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.14
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-5-(1-iodoethenyl)nonane
CID 125489786
1-Iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclopentane
CID 10853536
1-Iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane
CID 15033845

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene?
The IUPAC name of 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene (CID 10642877) is 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene?
The canonical SMILES for 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene is CCCC(I)C(CCC)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene?
The InChIKey is SQDWCADVFDYLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5I/c1-3-5-7(8(17)6-4-2)11(15,16)9(12)10(13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene?
1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene has a molecular weight of 370.14 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-5-iodo-4-propyloct-1-ene is sourced from PubChem (CID 10642877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).