6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H10ClF2NO — CID 82720881

IUPAC6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(C2CNc3cc(Cl)c(F)cc3O2)cc1
InChIInChI=1S/C14H10ClF2NO/c15-10-5-12-13(6-11(10)17)19-14(7-18-12)8-1-3-9(16)4-2-8/h1-6,14,18H,7H2
InChIKeyGGZSBRJLKUFPHE-UHFFFAOYSA-N
MW281.69 g/mol
LogP4.16
Rot. Bonds1

About 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82720881) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82720881
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC Name6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(C2CNc3cc(Cl)c(F)cc3O2)cc1
InChIInChI=1S/C14H10ClF2NO/c15-10-5-12-13(6-11(10)17)19-14(7-18-12)8-1-3-9(16)4-2-8/h1-6,14,18H,7H2
InChIKeyGGZSBRJLKUFPHE-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82720260
6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82720155
6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82719847
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
2-(1-benzothiophen-2-yl)-6-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 114910394
7-chloro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429352
2-(6-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 82720880
7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429876
2-(4-fluorophenyl)-8-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017957
2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82970339
2-(4-chlorophenyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017960
7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81430931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82720881) is 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc(C2CNc3cc(Cl)c(F)cc3O2)cc1.
What is the InChIKey of 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is GGZSBRJLKUFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-10-5-12-13(6-11(10)17)19-14(7-18-12)8-1-3-9(16)4-2-8/h1-6,14,18H,7H2.
What are the key properties of 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 281.69 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82720881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).