2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine

C12H14F2N4 — CID 114384368

IUPAC2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine
SMILESCc1nc2ccccc2nc1NCC(F)(F)CN
InChIInChI=1S/C12H14F2N4/c1-8-11(16-7-12(13,14)6-15)18-10-5-3-2-4-9(10)17-8/h2-5H,6-7,15H2,1H3,(H,16,18)
InChIKeyVXPJFVOKPIOITJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.94
Rot. Bonds4

About 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine

2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine (PubChem CID 114384368) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine
PubChem CID114384368
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine
SMILESCc1nc2ccccc2nc1NCC(F)(F)CN
InChIInChI=1S/C12H14F2N4/c1-8-11(16-7-12(13,14)6-15)18-10-5-3-2-4-9(10)17-8/h2-5H,6-7,15H2,1H3,(H,16,18)
InChIKeyVXPJFVOKPIOITJ-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine (CID 114384368) is 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine is Cc1nc2ccccc2nc1NCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine?
The InChIKey is VXPJFVOKPIOITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-8-11(16-7-12(13,14)6-15)18-10-5-3-2-4-9(10)17-8/h2-5H,6-7,15H2,1H3,(H,16,18).
What are the key properties of 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine?
2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine has a molecular weight of 252.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 114384368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).