1-(Tetrahydropyran-4-yl)amino-2-nitro-4-trifluoromethylbenzene

HCID 18509828
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Basic information

Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCOCC1
InChIKey
ISWGWGDZYATJSK-UHFFFAOYSA-N
Molecular formula
C12H13F3N2O3
Average molar mass
290.24 g/mol

Names & identifiers

Preferred name
1-(Tetrahydropyran-4-yl)amino-2-nitro-4-trifluoromethylbenzene
IUPAC
N-[2-nitro-4-(trifluoromethyl)phenyl]oxan-4-amine

Names & synonyms

1-(tetrahydropyran-4-yl)amino-2-nitro-4-trifluoromethylbenzeneSCHEMBL2687698

Database identifiers

PubChem CID
18509828

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
67.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
New reaction record

Linked notes

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