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

C10H8FNO2 — CID 175362125

IUPAC6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde
SMILESCC1=Nc2ccc(F)cc2C(C=O)O1
InChIInChI=1S/C10H8FNO2/c1-6-12-9-3-2-7(11)4-8(9)10(5-13)14-6/h2-5,10H,1H3
InChIKeyZAZCVABLULPQKZ-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.15
Rot. Bonds1

About 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde

6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde (PubChem CID 175362125) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde
PubChem CID175362125
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde
SMILESCC1=Nc2ccc(F)cc2C(C=O)O1
InChIInChI=1S/C10H8FNO2/c1-6-12-9-3-2-7(11)4-8(9)10(5-13)14-6/h2-5,10H,1H3
InChIKeyZAZCVABLULPQKZ-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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Related Compounds

N-tert-butyl-2-methyl-4H-3,1-benzoxazine-4-carboxamide
CID 102421239
methyl (4S)-4-ethoxy-6-fluoro-3,4-dihydroquinoline-2-carboxylate
CID 90981894
5-fluoro-2-phenyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174330895
2-(3-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
CID 174401265
4-Fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde
CID 174435867
4-Amino-2-(3-fluorophenyl)-3,1-benzoxazine-4-carbaldehyde
CID 174451132
2-(4-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
CID 174489617
7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
CID 174489785
2-(2-chloro-6-fluorophenyl)-5-fluoro-4H-3,1-benzoxazine-4-carbaldehyde
CID 174503853
2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
CID 174503877
2-(2-fluorophenyl)-6-methyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174503969
6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174512180

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
The IUPAC name of 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde (CID 175362125) is 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
The canonical SMILES for 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde is CC1=Nc2ccc(F)cc2C(C=O)O1.
What is the InChIKey of 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
The InChIKey is ZAZCVABLULPQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-12-9-3-2-7(11)4-8(9)10(5-13)14-6/h2-5,10H,1H3.
What are the key properties of 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde?
6-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 6-fluoro-2-methyl-4H-3,1-benzoxazine-4-carbaldehyde is sourced from PubChem (CID 175362125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).