6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine

C9H9FN2O — CID 150856385

IUPAC6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine
SMILESCC1Oc2ccc(F)cc2N=C1N
InChIInChI=1S/C9H9FN2O/c1-5-9(11)12-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H2,11,12)
InChIKeyKRCCSUUPBXDKCI-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.60
Rot. Bonds

About 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine

6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine (PubChem CID 150856385) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine
PubChem CID150856385
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine
SMILESCC1Oc2ccc(F)cc2N=C1N
InChIInChI=1S/C9H9FN2O/c1-5-9(11)12-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H2,11,12)
InChIKeyKRCCSUUPBXDKCI-UHFFFAOYSA-N
XLogP1.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine?
The IUPAC name of 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine (CID 150856385) is 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine.
What is the SMILES notation for 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine?
The canonical SMILES for 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine is CC1Oc2ccc(F)cc2N=C1N.
What is the InChIKey of 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine?
The InChIKey is KRCCSUUPBXDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5-9(11)12-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H2,11,12).
What are the key properties of 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine?
6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine has a molecular weight of 180.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2H-1,4-benzoxazin-3-amine is sourced from PubChem (CID 150856385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).