1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene

C6H3F7I- — CID 169017999

IUPAC1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene
SMILESC[I-]C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F7I/c1-14-3-2(7)4(8,9)6(12,13)5(3,10)11/h1H3/q-1
InChIKeyVTXPECVKEVZFKC-UHFFFAOYSA-N
MW334.98 g/mol
LogP-0.19
Rot. Bonds1

About 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene

1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene (PubChem CID 169017999) has the molecular formula C6H3F7I- and a molecular weight of 334.98 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene
PubChem CID169017999
Molecular FormulaC6H3F7I-
Molecular Weight334.98 g/mol
Exact Mass334.92
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene
SMILESC[I-]C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F7I/c1-14-3-2(7)4(8,9)6(12,13)5(3,10)11/h1H3/q-1
InChIKeyVTXPECVKEVZFKC-UHFFFAOYSA-N
XLogP-0.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 5-0.19
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene (CID 169017999) is 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene is C[I-]C1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene?
The InChIKey is VTXPECVKEVZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7I/c1-14-3-2(7)4(8,9)6(12,13)5(3,10)11/h1H3/q-1.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene has a molecular weight of 334.98 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-methyliodanuidylcyclopentene is sourced from PubChem (CID 169017999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).