(2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane

C10H11FINO2 — CID 163764010

IUPAC(2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane
SMILESC=Ic1cc(C(C)C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11FINO2/c1-6(2)7-4-9(12-3)8(11)5-10(7)13(14)15/h4-6H,3H2,1-2H3
InChIKeyMAQWDNGNSKUYQJ-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.43
Rot. Bonds3

About (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane

(2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane (PubChem CID 163764010) has the molecular formula C10H11FINO2 and a molecular weight of 323.11 g/mol. Its IUPAC name is (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane.

Molecular Properties

Compound Name(2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane
PubChem CID163764010
Molecular FormulaC10H11FINO2
Molecular Weight323.11 g/mol
Exact Mass322.98
IUPAC Name(2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane
SMILESC=Ic1cc(C(C)C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11FINO2/c1-6(2)7-4-9(12-3)8(11)5-10(7)13(14)15/h4-6H,3H2,1-2H3
InChIKeyMAQWDNGNSKUYQJ-UHFFFAOYSA-N
XLogP3.43
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane?
The IUPAC name of (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane (CID 163764010) is (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane.
What is the SMILES notation for (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane?
The canonical SMILES for (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane is C=Ic1cc(C(C)C)c([N+](=O)[O-])cc1F.
What is the InChIKey of (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane?
The InChIKey is MAQWDNGNSKUYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FINO2/c1-6(2)7-4-9(12-3)8(11)5-10(7)13(14)15/h4-6H,3H2,1-2H3.
What are the key properties of (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane?
(2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane has a molecular weight of 323.11 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-nitro-5-propan-2-ylphenyl)-methylidene-λ3-iodane is sourced from PubChem (CID 163764010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).