(1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane

C7H11F2I — CID 162623100

IUPAC(1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane
SMILESC=IC(F)(F)C(=C)C(C)C
InChIInChI=1S/C7H11F2I/c1-5(2)6(3)7(8,9)10-4/h5H,3-4H2,1-2H3
InChIKeyOJKJMXMSZGQIQW-UHFFFAOYSA-N
MW260.06 g/mol
LogP3.19
Rot. Bonds3

About (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane

(1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane (PubChem CID 162623100) has the molecular formula C7H11F2I and a molecular weight of 260.06 g/mol. Its IUPAC name is (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane.

Molecular Properties

Compound Name(1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane
PubChem CID162623100
Molecular FormulaC7H11F2I
Molecular Weight260.06 g/mol
Exact Mass259.99
IUPAC Name(1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane
SMILESC=IC(F)(F)C(=C)C(C)C
InChIInChI=1S/C7H11F2I/c1-5(2)6(3)7(8,9)10-4/h5H,3-4H2,1-2H3
InChIKeyOJKJMXMSZGQIQW-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 53.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane?
The IUPAC name of (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane (CID 162623100) is (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane.
What is the SMILES notation for (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane?
The canonical SMILES for (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane is C=IC(F)(F)C(=C)C(C)C.
What is the InChIKey of (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane?
The InChIKey is OJKJMXMSZGQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2I/c1-5(2)6(3)7(8,9)10-4/h5H,3-4H2,1-2H3.
What are the key properties of (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane?
(1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane has a molecular weight of 260.06 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-methyl-2-methylidenebutyl)-methylidene-λ3-iodane is sourced from PubChem (CID 162623100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).