(6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

C9H10F2N2O — CID 18520535

IUPAC(6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESNCC1COc2c(F)cc(F)cc2N1
InChIInChI=1S/C9H10F2N2O/c10-5-1-7(11)9-8(2-5)13-6(3-12)4-14-9/h1-2,6,13H,3-4,12H2
InChIKeyBHCLMTDJHUADDW-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.10
Rot. Bonds1

About (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

(6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (PubChem CID 18520535) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.

Molecular Properties

Compound Name(6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
PubChem CID18520535
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESNCC1COc2c(F)cc(F)cc2N1
InChIInChI=1S/C9H10F2N2O/c10-5-1-7(11)9-8(2-5)13-6(3-12)4-14-9/h1-2,6,13H,3-4,12H2
InChIKeyBHCLMTDJHUADDW-UHFFFAOYSA-N
XLogP1.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The IUPAC name of (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (CID 18520535) is (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.
What is the SMILES notation for (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The canonical SMILES for (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is NCC1COc2c(F)cc(F)cc2N1.
What is the InChIKey of (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The InChIKey is BHCLMTDJHUADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-5-1-7(11)9-8(2-5)13-6(3-12)4-14-9/h1-2,6,13H,3-4,12H2.
What are the key properties of (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
(6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine has a molecular weight of 200.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is sourced from PubChem (CID 18520535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).