6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione

C15H9ClFNO3 — CID 23543851

IUPAC6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C15H9ClFNO3/c16-10-3-6-13-12(7-10)14(19)21-15(20)18(13)8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKeyBPFCPUCIOVFWEZ-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.80
Rot. Bonds2

About 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione

6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione (PubChem CID 23543851) has the molecular formula C15H9ClFNO3 and a molecular weight of 305.69 g/mol. Its IUPAC name is 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione
PubChem CID23543851
Molecular FormulaC15H9ClFNO3
Molecular Weight305.69 g/mol
Exact Mass305.03
IUPAC Name6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C15H9ClFNO3/c16-10-3-6-13-12(7-10)14(19)21-15(20)18(13)8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKeyBPFCPUCIOVFWEZ-UHFFFAOYSA-N
XLogP2.80
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione (CID 23543851) is 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(Cc2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is BPFCPUCIOVFWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO3/c16-10-3-6-13-12(7-10)14(19)21-15(20)18(13)8-9-1-4-11(17)5-2-9/h1-7H,8H2.
What are the key properties of 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 305.69 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 23543851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).