4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde

C15H10FNO2 — CID 174435867

IUPAC4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde
SMILESO=CC1(F)OC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H10FNO2/c16-15(10-18)12-8-4-5-9-13(12)17-14(19-15)11-6-2-1-3-7-11/h1-10H
InChIKeyWIQPGMGYXIGELH-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.12
Rot. Bonds2

About 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde

4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde (PubChem CID 174435867) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde
PubChem CID174435867
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde
SMILESO=CC1(F)OC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H10FNO2/c16-15(10-18)12-8-4-5-9-13(12)17-14(19-15)11-6-2-1-3-7-11/h1-10H
InChIKeyWIQPGMGYXIGELH-UHFFFAOYSA-N
XLogP3.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.12
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

4-(6-Fluoro-4-methyl-2-phenyl-3,1-benzoxazin-4-yl)butan-2-one
CID 162416100
4-[2-(4-Fluorophenyl)-4-methyl-3,1-benzoxazin-4-yl]butan-2-one
CID 162416244
4-methyl-2-phenyl-4H-3,1-benzoxazine
CID 102290952
2-phenyl-4-(2,2,2-trifluoroethyl)-4H-3,1-benzoxazine
CID 140276535
5-fluoro-2-phenyl-4H-3,1-benzoxazine
CID 140979559
2-(4-fluorophenyl)-4H-3,1-benzoxazine
CID 150921476
2-(3,5-difluorophenyl)-4H-3,1-benzoxazine
CID 156769418
5-fluoro-2-phenyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174330895
2-(3-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
CID 174401265
4-Amino-2-[2-(trifluoromethyl)phenyl]-3,1-benzoxazine-4-carbaldehyde
CID 174436966
4-Amino-2-(3-fluorophenyl)-3,1-benzoxazine-4-carbaldehyde
CID 174451132
4-Amino-2-phenyl-7-(trifluoromethyl)-3,1-benzoxazine-4-carbaldehyde
CID 174451156

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde?
The IUPAC name of 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde (CID 174435867) is 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde.
What is the SMILES notation for 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde?
The canonical SMILES for 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde is O=CC1(F)OC(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde?
The InChIKey is WIQPGMGYXIGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-15(10-18)12-8-4-5-9-13(12)17-14(19-15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde?
4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde has a molecular weight of 255.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenyl-3,1-benzoxazine-4-carbaldehyde is sourced from PubChem (CID 174435867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).