8-(difluoromethoxy)isoquinolin-1-amine

C10H8F2N2O — CID 154728176

IUPAC8-(difluoromethoxy)isoquinolin-1-amine
SMILESNc1nccc2cccc(OC(F)F)c12
InChIInChI=1S/C10H8F2N2O/c11-10(12)15-7-3-1-2-6-4-5-14-9(13)8(6)7/h1-5,10H,(H2,13,14)
InChIKeyCAJSYSHJCUDLRQ-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.42
Rot. Bonds2

About 8-(difluoromethoxy)isoquinolin-1-amine

8-(difluoromethoxy)isoquinolin-1-amine (PubChem CID 154728176) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 8-(difluoromethoxy)isoquinolin-1-amine.

Molecular Properties

Compound Name8-(difluoromethoxy)isoquinolin-1-amine
PubChem CID154728176
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name8-(difluoromethoxy)isoquinolin-1-amine
SMILESNc1nccc2cccc(OC(F)F)c12
InChIInChI=1S/C10H8F2N2O/c11-10(12)15-7-3-1-2-6-4-5-14-9(13)8(6)7/h1-5,10H,(H2,13,14)
InChIKeyCAJSYSHJCUDLRQ-UHFFFAOYSA-N
XLogP2.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)isoquinolin-1-amine?
The IUPAC name of 8-(difluoromethoxy)isoquinolin-1-amine (CID 154728176) is 8-(difluoromethoxy)isoquinolin-1-amine.
What is the SMILES notation for 8-(difluoromethoxy)isoquinolin-1-amine?
The canonical SMILES for 8-(difluoromethoxy)isoquinolin-1-amine is Nc1nccc2cccc(OC(F)F)c12.
What is the InChIKey of 8-(difluoromethoxy)isoquinolin-1-amine?
The InChIKey is CAJSYSHJCUDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-10(12)15-7-3-1-2-6-4-5-14-9(13)8(6)7/h1-5,10H,(H2,13,14).
What are the key properties of 8-(difluoromethoxy)isoquinolin-1-amine?
8-(difluoromethoxy)isoquinolin-1-amine has a molecular weight of 210.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)isoquinolin-1-amine is sourced from PubChem (CID 154728176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).