6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one

C8H6FNO2 — CID 172601912

IUPAC6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NCOc2ccc(F)cc21
InChIInChI=1S/C8H6FNO2/c9-5-1-2-7-6(3-5)8(11)10-4-12-7/h1-3H,4H2,(H,10,11)
InChIKeyMPVLVXHYZOPZPW-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.91
Rot. Bonds

About 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one

6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 172601912) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID172601912
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NCOc2ccc(F)cc21
InChIInChI=1S/C8H6FNO2/c9-5-1-2-7-6(3-5)8(11)10-4-12-7/h1-3H,4H2,(H,10,11)
InChIKeyMPVLVXHYZOPZPW-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one (CID 172601912) is 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NCOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is MPVLVXHYZOPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-5-1-2-7-6(3-5)8(11)10-4-12-7/h1-3H,4H2,(H,10,11).
What are the key properties of 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one?
6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 167.14 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 172601912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).