7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde

C15H9ClFNO2 — CID 174489785

IUPAC7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
SMILESO=CC1OC(c2ccccc2F)=Nc2cc(Cl)ccc21
InChIInChI=1S/C15H9ClFNO2/c16-9-5-6-11-13(7-9)18-15(20-14(11)8-19)10-3-1-2-4-12(10)17/h1-8,14H
InChIKeyBRTRHXOBSMPDRA-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.83
Rot. Bonds2

About 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde

7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde (PubChem CID 174489785) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
PubChem CID174489785
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
SMILESO=CC1OC(c2ccccc2F)=Nc2cc(Cl)ccc21
InChIInChI=1S/C15H9ClFNO2/c16-9-5-6-11-13(7-9)18-15(20-14(11)8-19)10-3-1-2-4-12(10)17/h1-8,14H
InChIKeyBRTRHXOBSMPDRA-UHFFFAOYSA-N
XLogP3.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.83
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 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde?
The IUPAC name of 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde (CID 174489785) is 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde.
What is the SMILES notation for 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde?
The canonical SMILES for 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde is O=CC1OC(c2ccccc2F)=Nc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde?
The InChIKey is BRTRHXOBSMPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-9-5-6-11-13(7-9)18-15(20-14(11)8-19)10-3-1-2-4-12(10)17/h1-8,14H.
What are the key properties of 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde?
7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde has a molecular weight of 289.69 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazine-4-carbaldehyde is sourced from PubChem (CID 174489785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).