6-iodo-4,6-bis(trifluoromethyl)oct-1-ene

C10H13F6I — CID 143087548

IUPAC6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
SMILESC=CCC(CC(I)(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6I/c1-3-5-7(9(11,12)13)6-8(17,4-2)10(14,15)16/h3,7H,1,4-6H2,2H3
InChIKeyJDUVDVKGVRRAMR-UHFFFAOYSA-N
MW374.11 g/mol
LogP5.28
Rot. Bonds5

About 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene

6-iodo-4,6-bis(trifluoromethyl)oct-1-ene (PubChem CID 143087548) has the molecular formula C10H13F6I and a molecular weight of 374.11 g/mol. Its IUPAC name is 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
PubChem CID143087548
Molecular FormulaC10H13F6I
Molecular Weight374.11 g/mol
Exact Mass374.00
IUPAC Name6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
SMILESC=CCC(CC(I)(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6I/c1-3-5-7(9(11,12)13)6-8(17,4-2)10(14,15)16/h3,7H,1,4-6H2,2H3
InChIKeyJDUVDVKGVRRAMR-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 55.28
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene?
The IUPAC name of 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene (CID 143087548) is 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene?
The canonical SMILES for 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene is C=CCC(CC(I)(CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene?
The InChIKey is JDUVDVKGVRRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6I/c1-3-5-7(9(11,12)13)6-8(17,4-2)10(14,15)16/h3,7H,1,4-6H2,2H3.
What are the key properties of 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene?
6-iodo-4,6-bis(trifluoromethyl)oct-1-ene has a molecular weight of 374.11 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4,6-bis(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 143087548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).