3,3-difluoro-1-hexyl-2-iodocyclopropene

C9H13F2I — CID 11033434

IUPAC3,3-difluoro-1-hexyl-2-iodocyclopropene
SMILESCCCCCCC1=C(I)C1(F)F
InChIInChI=1S/C9H13F2I/c1-2-3-4-5-6-7-8(12)9(7,10)11/h2-6H2,1H3
InChIKeyDGYVNBLRXIFJAC-UHFFFAOYSA-N
MW286.10 g/mol
LogP4.29
Rot. Bonds5

About 3,3-difluoro-1-hexyl-2-iodocyclopropene

3,3-difluoro-1-hexyl-2-iodocyclopropene (PubChem CID 11033434) has the molecular formula C9H13F2I and a molecular weight of 286.10 g/mol. Its IUPAC name is 3,3-difluoro-1-hexyl-2-iodocyclopropene.

Molecular Properties

Compound Name3,3-difluoro-1-hexyl-2-iodocyclopropene
PubChem CID11033434
Molecular FormulaC9H13F2I
Molecular Weight286.10 g/mol
Exact Mass286.00
IUPAC Name3,3-difluoro-1-hexyl-2-iodocyclopropene
SMILESCCCCCCC1=C(I)C1(F)F
InChIInChI=1S/C9H13F2I/c1-2-3-4-5-6-7-8(12)9(7,10)11/h2-6H2,1H3
InChIKeyDGYVNBLRXIFJAC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 54.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-hexyl-2-iodocyclopropene?
The IUPAC name of 3,3-difluoro-1-hexyl-2-iodocyclopropene (CID 11033434) is 3,3-difluoro-1-hexyl-2-iodocyclopropene.
What is the SMILES notation for 3,3-difluoro-1-hexyl-2-iodocyclopropene?
The canonical SMILES for 3,3-difluoro-1-hexyl-2-iodocyclopropene is CCCCCCC1=C(I)C1(F)F.
What is the InChIKey of 3,3-difluoro-1-hexyl-2-iodocyclopropene?
The InChIKey is DGYVNBLRXIFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2I/c1-2-3-4-5-6-7-8(12)9(7,10)11/h2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-hexyl-2-iodocyclopropene?
3,3-difluoro-1-hexyl-2-iodocyclopropene has a molecular weight of 286.10 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-hexyl-2-iodocyclopropene is sourced from PubChem (CID 11033434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).