1-decyl-3,3-difluoro-2-iodocyclopropene

C13H21F2I — CID 11002369

IUPAC1-decyl-3,3-difluoro-2-iodocyclopropene
SMILESCCCCCCCCCCC1=C(I)C1(F)F
InChIInChI=1S/C13H21F2I/c1-2-3-4-5-6-7-8-9-10-11-12(16)13(11,14)15/h2-10H2,1H3
InChIKeyJDAXPKCBNNQLJE-UHFFFAOYSA-N
MW342.21 g/mol
LogP5.86
Rot. Bonds9

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

1-decyl-3,3-difluoro-2-iodocyclopropene (PubChem CID 11002369) has the molecular formula C13H21F2I and a molecular weight of 342.21 g/mol. Its IUPAC name is 1-decyl-3,3-difluoro-2-iodocyclopropene.

Molecular Properties

Compound Name1-decyl-3,3-difluoro-2-iodocyclopropene
PubChem CID11002369
Molecular FormulaC13H21F2I
Molecular Weight342.21 g/mol
Exact Mass342.07
IUPAC Name1-decyl-3,3-difluoro-2-iodocyclopropene
SMILESCCCCCCCCCCC1=C(I)C1(F)F
InChIInChI=1S/C13H21F2I/c1-2-3-4-5-6-7-8-9-10-11-12(16)13(11,14)15/h2-10H2,1H3
InChIKeyJDAXPKCBNNQLJE-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.21
LogP ≤ 55.86
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 1-decyl-3,3-difluoro-2-iodocyclopropene?
The IUPAC name of 1-decyl-3,3-difluoro-2-iodocyclopropene (CID 11002369) is 1-decyl-3,3-difluoro-2-iodocyclopropene.
What is the SMILES notation for 1-decyl-3,3-difluoro-2-iodocyclopropene?
The canonical SMILES for 1-decyl-3,3-difluoro-2-iodocyclopropene is CCCCCCCCCCC1=C(I)C1(F)F.
What is the InChIKey of 1-decyl-3,3-difluoro-2-iodocyclopropene?
The InChIKey is JDAXPKCBNNQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2I/c1-2-3-4-5-6-7-8-9-10-11-12(16)13(11,14)15/h2-10H2,1H3.
What are the key properties of 1-decyl-3,3-difluoro-2-iodocyclopropene?
1-decyl-3,3-difluoro-2-iodocyclopropene has a molecular weight of 342.21 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,3-difluoro-2-iodocyclopropene is sourced from PubChem (CID 11002369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).