6-fluoro-3-nitro-2-phosphanylbenzaldehyde

C7H5FNO3P — CID 164593338

IUPAC6-fluoro-3-nitro-2-phosphanylbenzaldehyde
SMILESO=Cc1c(F)ccc([N+](=O)[O-])c1P
InChIInChI=1S/C7H5FNO3P/c8-5-1-2-6(9(11)12)7(13)4(5)3-10/h1-3H,13H2
InChIKeyVNOFTCAFFCUILP-UHFFFAOYSA-N
MW201.09 g/mol
LogP1.05
Rot. Bonds2

About 6-fluoro-3-nitro-2-phosphanylbenzaldehyde

6-fluoro-3-nitro-2-phosphanylbenzaldehyde (PubChem CID 164593338) has the molecular formula C7H5FNO3P and a molecular weight of 201.09 g/mol. Its IUPAC name is 6-fluoro-3-nitro-2-phosphanylbenzaldehyde.

Molecular Properties

Compound Name6-fluoro-3-nitro-2-phosphanylbenzaldehyde
PubChem CID164593338
Molecular FormulaC7H5FNO3P
Molecular Weight201.09 g/mol
Exact Mass201.00
IUPAC Name6-fluoro-3-nitro-2-phosphanylbenzaldehyde
SMILESO=Cc1c(F)ccc([N+](=O)[O-])c1P
InChIInChI=1S/C7H5FNO3P/c8-5-1-2-6(9(11)12)7(13)4(5)3-10/h1-3H,13H2
InChIKeyVNOFTCAFFCUILP-UHFFFAOYSA-N
XLogP1.05
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-nitro-2-phosphanylbenzaldehyde?
The IUPAC name of 6-fluoro-3-nitro-2-phosphanylbenzaldehyde (CID 164593338) is 6-fluoro-3-nitro-2-phosphanylbenzaldehyde.
What is the SMILES notation for 6-fluoro-3-nitro-2-phosphanylbenzaldehyde?
The canonical SMILES for 6-fluoro-3-nitro-2-phosphanylbenzaldehyde is O=Cc1c(F)ccc([N+](=O)[O-])c1P.
What is the InChIKey of 6-fluoro-3-nitro-2-phosphanylbenzaldehyde?
The InChIKey is VNOFTCAFFCUILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FNO3P/c8-5-1-2-6(9(11)12)7(13)4(5)3-10/h1-3H,13H2.
What are the key properties of 6-fluoro-3-nitro-2-phosphanylbenzaldehyde?
6-fluoro-3-nitro-2-phosphanylbenzaldehyde has a molecular weight of 201.09 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-nitro-2-phosphanylbenzaldehyde is sourced from PubChem (CID 164593338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).