7,7,7-trifluoro-5-iodohept-1-ene

C7H10F3I — CID 139658519

IUPAC7,7,7-trifluoro-5-iodohept-1-ene
SMILESC=CCCC(I)CC(F)(F)F
InChIInChI=1S/C7H10F3I/c1-2-3-4-6(11)5-7(8,9)10/h2,6H,1,3-5H2
InChIKeyCUIAOGGJJPVYSQ-UHFFFAOYSA-N
MW278.05 g/mol
LogP3.71
Rot. Bonds4

About 7,7,7-trifluoro-5-iodohept-1-ene

7,7,7-trifluoro-5-iodohept-1-ene (PubChem CID 139658519) has the molecular formula C7H10F3I and a molecular weight of 278.05 g/mol. Its IUPAC name is 7,7,7-trifluoro-5-iodohept-1-ene.

Molecular Properties

Compound Name7,7,7-trifluoro-5-iodohept-1-ene
PubChem CID139658519
Molecular FormulaC7H10F3I
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name7,7,7-trifluoro-5-iodohept-1-ene
SMILESC=CCCC(I)CC(F)(F)F
InChIInChI=1S/C7H10F3I/c1-2-3-4-6(11)5-7(8,9)10/h2,6H,1,3-5H2
InChIKeyCUIAOGGJJPVYSQ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.71
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 7,7,7-trifluoro-5-iodohept-1-ene?
The IUPAC name of 7,7,7-trifluoro-5-iodohept-1-ene (CID 139658519) is 7,7,7-trifluoro-5-iodohept-1-ene.
What is the SMILES notation for 7,7,7-trifluoro-5-iodohept-1-ene?
The canonical SMILES for 7,7,7-trifluoro-5-iodohept-1-ene is C=CCCC(I)CC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-5-iodohept-1-ene?
The InChIKey is CUIAOGGJJPVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3I/c1-2-3-4-6(11)5-7(8,9)10/h2,6H,1,3-5H2.
What are the key properties of 7,7,7-trifluoro-5-iodohept-1-ene?
7,7,7-trifluoro-5-iodohept-1-ene has a molecular weight of 278.05 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-5-iodohept-1-ene is sourced from PubChem (CID 139658519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).