[7-(difluoromethyl)isoquinolin-1-yl]methanamine

C11H10F2N2 — CID 125426183

IUPAC[7-(difluoromethyl)isoquinolin-1-yl]methanamine
SMILESNCc1nccc2ccc(C(F)F)cc12
InChIInChI=1S/C11H10F2N2/c12-11(13)8-2-1-7-3-4-15-10(6-14)9(7)5-8/h1-5,11H,6,14H2
InChIKeyJGBKHWFRBRHYBR-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.63
Rot. Bonds2

About [7-(difluoromethyl)isoquinolin-1-yl]methanamine

[7-(difluoromethyl)isoquinolin-1-yl]methanamine (PubChem CID 125426183) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is [7-(difluoromethyl)isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[7-(difluoromethyl)isoquinolin-1-yl]methanamine
PubChem CID125426183
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name[7-(difluoromethyl)isoquinolin-1-yl]methanamine
SMILESNCc1nccc2ccc(C(F)F)cc12
InChIInChI=1S/C11H10F2N2/c12-11(13)8-2-1-7-3-4-15-10(6-14)9(7)5-8/h1-5,11H,6,14H2
InChIKeyJGBKHWFRBRHYBR-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)isoquinolin-1-yl]methanamine?
The IUPAC name of [7-(difluoromethyl)isoquinolin-1-yl]methanamine (CID 125426183) is [7-(difluoromethyl)isoquinolin-1-yl]methanamine.
What is the SMILES notation for [7-(difluoromethyl)isoquinolin-1-yl]methanamine?
The canonical SMILES for [7-(difluoromethyl)isoquinolin-1-yl]methanamine is NCc1nccc2ccc(C(F)F)cc12.
What is the InChIKey of [7-(difluoromethyl)isoquinolin-1-yl]methanamine?
The InChIKey is JGBKHWFRBRHYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-11(13)8-2-1-7-3-4-15-10(6-14)9(7)5-8/h1-5,11H,6,14H2.
What are the key properties of [7-(difluoromethyl)isoquinolin-1-yl]methanamine?
[7-(difluoromethyl)isoquinolin-1-yl]methanamine has a molecular weight of 208.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)isoquinolin-1-yl]methanamine is sourced from PubChem (CID 125426183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).