2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine

C10H9F3N2O — CID 54082411

IUPAC2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine
SMILESCC1Oc2ccc(C(F)(F)F)cc2N=C1N
InChIInChI=1S/C10H9F3N2O/c1-5-9(14)15-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H2,14,15)
InChIKeyMOAKXKAWNCBGHW-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.47
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine

2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine (PubChem CID 54082411) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine
PubChem CID54082411
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine
SMILESCC1Oc2ccc(C(F)(F)F)cc2N=C1N
InChIInChI=1S/C10H9F3N2O/c1-5-9(14)15-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H2,14,15)
InChIKeyMOAKXKAWNCBGHW-UHFFFAOYSA-N
XLogP2.47
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine (CID 54082411) is 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine is CC1Oc2ccc(C(F)(F)F)cc2N=C1N.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine?
The InChIKey is MOAKXKAWNCBGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-5-9(14)15-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H2,14,15).
What are the key properties of 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine?
2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine has a molecular weight of 230.19 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-amine is sourced from PubChem (CID 54082411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).