[(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane

C7H12FI — CID 163463653

IUPAC[(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane
SMILESC=IC(C)(F)/C(C)=C/C
InChIInChI=1S/C7H12FI/c1-5-6(2)7(3,8)9-4/h5H,4H2,1-3H3/b6-5+
InChIKeyBQRPPENEQZDEOS-AATRIKPKSA-N
MW242.07 g/mol
LogP3.04
Rot. Bonds2

About [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane

[(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane (PubChem CID 163463653) has the molecular formula C7H12FI and a molecular weight of 242.07 g/mol. Its IUPAC name is [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane.

Molecular Properties

Compound Name[(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane
PubChem CID163463653
Molecular FormulaC7H12FI
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name[(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane
SMILESC=IC(C)(F)/C(C)=C/C
InChIInChI=1S/C7H12FI/c1-5-6(2)7(3,8)9-4/h5H,4H2,1-3H3/b6-5+
InChIKeyBQRPPENEQZDEOS-AATRIKPKSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 53.04
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 [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane?
The IUPAC name of [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane (CID 163463653) is [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane.
What is the SMILES notation for [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane?
The canonical SMILES for [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane is C=IC(C)(F)/C(C)=C/C.
What is the InChIKey of [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane?
The InChIKey is BQRPPENEQZDEOS-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12FI/c1-5-6(2)7(3,8)9-4/h5H,4H2,1-3H3/b6-5+.
What are the key properties of [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane?
[(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane has a molecular weight of 242.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-fluoro-3-methylpent-3-en-2-yl]-methylidene-λ3-iodane is sourced from PubChem (CID 163463653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).