4-fluoro-2-methyl-3-nitrosobenzaldehyde

C8H6FNO2 — CID 175381308

IUPAC4-fluoro-2-methyl-3-nitrosobenzaldehyde
SMILESCc1c(C=O)ccc(F)c1N=O
InChIInChI=1S/C8H6FNO2/c1-5-6(4-11)2-3-7(9)8(5)10-12/h2-4H,1H3
InChIKeyRBFYYVYUXDVLGU-UHFFFAOYSA-N
MW167.14 g/mol
LogP2.34
Rot. Bonds2

About 4-fluoro-2-methyl-3-nitrosobenzaldehyde

4-fluoro-2-methyl-3-nitrosobenzaldehyde (PubChem CID 175381308) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 4-fluoro-2-methyl-3-nitrosobenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-methyl-3-nitrosobenzaldehyde
PubChem CID175381308
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name4-fluoro-2-methyl-3-nitrosobenzaldehyde
SMILESCc1c(C=O)ccc(F)c1N=O
InChIInChI=1S/C8H6FNO2/c1-5-6(4-11)2-3-7(9)8(5)10-12/h2-4H,1H3
InChIKeyRBFYYVYUXDVLGU-UHFFFAOYSA-N
XLogP2.34
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-3-nitrosobenzaldehyde?
The IUPAC name of 4-fluoro-2-methyl-3-nitrosobenzaldehyde (CID 175381308) is 4-fluoro-2-methyl-3-nitrosobenzaldehyde.
What is the SMILES notation for 4-fluoro-2-methyl-3-nitrosobenzaldehyde?
The canonical SMILES for 4-fluoro-2-methyl-3-nitrosobenzaldehyde is Cc1c(C=O)ccc(F)c1N=O.
What is the InChIKey of 4-fluoro-2-methyl-3-nitrosobenzaldehyde?
The InChIKey is RBFYYVYUXDVLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-5-6(4-11)2-3-7(9)8(5)10-12/h2-4H,1H3.
What are the key properties of 4-fluoro-2-methyl-3-nitrosobenzaldehyde?
4-fluoro-2-methyl-3-nitrosobenzaldehyde has a molecular weight of 167.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-3-nitrosobenzaldehyde is sourced from PubChem (CID 175381308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).