8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde

C10H8FNO2 — CID 175490486

IUPAC8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde
SMILESCC1=Nc2c(F)cccc2C(C=O)O1
InChIInChI=1S/C10H8FNO2/c1-6-12-10-7(9(5-13)14-6)3-2-4-8(10)11/h2-5,9H,1H3
InChIKeySJHJXZJXLJSDSW-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.15
Rot. Bonds1

About 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde

8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde (PubChem CID 175490486) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde
PubChem CID175490486
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde
SMILESCC1=Nc2c(F)cccc2C(C=O)O1
InChIInChI=1S/C10H8FNO2/c1-6-12-10-7(9(5-13)14-6)3-2-4-8(10)11/h2-5,9H,1H3
InChIKeySJHJXZJXLJSDSW-UHFFFAOYSA-N
XLogP2.15
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.15
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 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
The IUPAC name of 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde (CID 175490486) is 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde.
What is the SMILES notation for 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
The canonical SMILES for 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde is CC1=Nc2c(F)cccc2C(C=O)O1.
What is the InChIKey of 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
The InChIKey is SJHJXZJXLJSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-12-10-7(9(5-13)14-6)3-2-4-8(10)11/h2-5,9H,1H3.
What are the key properties of 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde has a molecular weight of 193.18 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde is sourced from PubChem (CID 175490486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).