7-bromo-2-(difluoromethoxy)naphthalen-1-amine

C11H8BrF2NO — CID 162527337

IUPAC7-bromo-2-(difluoromethoxy)naphthalen-1-amine
SMILESNc1c(OC(F)F)ccc2ccc(Br)cc12
InChIInChI=1S/C11H8BrF2NO/c12-7-3-1-6-2-4-9(16-11(13)14)10(15)8(6)5-7/h1-5,11H,15H2
InChIKeyAZAFBCFAGYZXLY-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.79
Rot. Bonds2

About 7-bromo-2-(difluoromethoxy)naphthalen-1-amine

7-bromo-2-(difluoromethoxy)naphthalen-1-amine (PubChem CID 162527337) has the molecular formula C11H8BrF2NO and a molecular weight of 288.09 g/mol. Its IUPAC name is 7-bromo-2-(difluoromethoxy)naphthalen-1-amine.

Molecular Properties

Compound Name7-bromo-2-(difluoromethoxy)naphthalen-1-amine
PubChem CID162527337
Molecular FormulaC11H8BrF2NO
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name7-bromo-2-(difluoromethoxy)naphthalen-1-amine
SMILESNc1c(OC(F)F)ccc2ccc(Br)cc12
InChIInChI=1S/C11H8BrF2NO/c12-7-3-1-6-2-4-9(16-11(13)14)10(15)8(6)5-7/h1-5,11H,15H2
InChIKeyAZAFBCFAGYZXLY-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(difluoromethoxy)naphthalen-1-amine?
The IUPAC name of 7-bromo-2-(difluoromethoxy)naphthalen-1-amine (CID 162527337) is 7-bromo-2-(difluoromethoxy)naphthalen-1-amine.
What is the SMILES notation for 7-bromo-2-(difluoromethoxy)naphthalen-1-amine?
The canonical SMILES for 7-bromo-2-(difluoromethoxy)naphthalen-1-amine is Nc1c(OC(F)F)ccc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-2-(difluoromethoxy)naphthalen-1-amine?
The InChIKey is AZAFBCFAGYZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO/c12-7-3-1-6-2-4-9(16-11(13)14)10(15)8(6)5-7/h1-5,11H,15H2.
What are the key properties of 7-bromo-2-(difluoromethoxy)naphthalen-1-amine?
7-bromo-2-(difluoromethoxy)naphthalen-1-amine has a molecular weight of 288.09 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(difluoromethoxy)naphthalen-1-amine is sourced from PubChem (CID 162527337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).