2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine

C9H18F2N2O — CID 165462131

IUPAC2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CC(F)(F)CN)C1CCOCC1
InChIInChI=1S/C9H18F2N2O/c1-13(7-9(10,11)6-12)8-2-4-14-5-3-8/h8H,2-7,12H2,1H3
InChIKeyUQMSFFAOZXMXKQ-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.69
Rot. Bonds4

About 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine

2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 165462131) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID165462131
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CC(F)(F)CN)C1CCOCC1
InChIInChI=1S/C9H18F2N2O/c1-13(7-9(10,11)6-12)8-2-4-14-5-3-8/h8H,2-7,12H2,1H3
InChIKeyUQMSFFAOZXMXKQ-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 165462131) is 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is CN(CC(F)(F)CN)C1CCOCC1.
What is the InChIKey of 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is UQMSFFAOZXMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-13(7-9(10,11)6-12)8-2-4-14-5-3-8/h8H,2-7,12H2,1H3.
What are the key properties of 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 208.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 165462131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).