6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide

C9H9FN2O2 — CID 68720807

IUPAC6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide
SMILESNC(=O)C1CNOc2ccc(F)cc21
InChIInChI=1S/C9H9FN2O2/c10-5-1-2-8-6(3-5)7(9(11)13)4-12-14-8/h1-3,7,12H,4H2,(H2,11,13)
InChIKeySSFXBDOAQSWYGN-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.29
Rot. Bonds1

About 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide

6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide (PubChem CID 68720807) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide
PubChem CID68720807
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide
SMILESNC(=O)C1CNOc2ccc(F)cc21
InChIInChI=1S/C9H9FN2O2/c10-5-1-2-8-6(3-5)7(9(11)13)4-12-14-8/h1-3,7,12H,4H2,(H2,11,13)
InChIKeySSFXBDOAQSWYGN-UHFFFAOYSA-N
XLogP0.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide (CID 68720807) is 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide is NC(=O)C1CNOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide?
The InChIKey is SSFXBDOAQSWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-5-1-2-8-6(3-5)7(9(11)13)4-12-14-8/h1-3,7,12H,4H2,(H2,11,13).
What are the key properties of 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide?
6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide has a molecular weight of 196.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide is sourced from PubChem (CID 68720807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).