2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine

C9H20F2N2O — CID 165461904

IUPAC2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCC(F)(F)CN(C)C(C)COC
InChIInChI=1S/C9H20F2N2O/c1-8(5-14-4)13(3)7-9(10,11)6-12-2/h8,12H,5-7H2,1-4H3
InChIKeyUXQJWYGARSOQGH-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.81
Rot. Bonds7

About 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine

2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 165461904) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID165461904
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCC(F)(F)CN(C)C(C)COC
InChIInChI=1S/C9H20F2N2O/c1-8(5-14-4)13(3)7-9(10,11)6-12-2/h8,12H,5-7H2,1-4H3
InChIKeyUXQJWYGARSOQGH-UHFFFAOYSA-N
XLogP0.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 165464054
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 165461902
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392
2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
CID 62270584
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
1-methoxy-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine
CID 123868125

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine (CID 165461904) is 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine is CNCC(F)(F)CN(C)C(C)COC.
What is the InChIKey of 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is UXQJWYGARSOQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-8(5-14-4)13(3)7-9(10,11)6-12-2/h8,12H,5-7H2,1-4H3.
What are the key properties of 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 210.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-methoxypropan-2-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 165461904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).