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

C12H9ClFNO2 — CID 82720260

IUPAC6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc2c(cc1Cl)NCC(c1ccoc1)O2
InChIInChI=1S/C12H9ClFNO2/c13-8-3-10-11(4-9(8)14)17-12(5-15-10)7-1-2-16-6-7/h1-4,6,12,15H,5H2
InChIKeyNFQBGQPDDVBZJH-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.62
Rot. Bonds1

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

6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82720260) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82720260
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc2c(cc1Cl)NCC(c1ccoc1)O2
InChIInChI=1S/C12H9ClFNO2/c13-8-3-10-11(4-9(8)14)17-12(5-15-10)7-1-2-16-6-7/h1-4,6,12,15H,5H2
InChIKeyNFQBGQPDDVBZJH-UHFFFAOYSA-N
XLogP3.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82720881
6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82719847
6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82720155
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
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
7-chloro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429352
7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81430931
6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82355438
7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429879
2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 107355156

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82720260) is 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1cc2c(cc1Cl)NCC(c1ccoc1)O2.
What is the InChIKey of 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is NFQBGQPDDVBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c13-8-3-10-11(4-9(8)14)17-12(5-15-10)7-1-2-16-6-7/h1-4,6,12,15H,5H2.
What are the key properties of 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 253.66 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-2-(furan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82720260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).