N'-(2,2-difluoropropyl)-N'-methylmethanediamine

C5H12F2N2 — CID 134422157

IUPACN'-(2,2-difluoropropyl)-N'-methylmethanediamine
SMILESCN(CN)CC(C)(F)F
InChIInChI=1S/C5H12F2N2/c1-5(6,7)3-9(2)4-8/h3-4,8H2,1-2H3
InChIKeyWHPKZYCWTFFJBR-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.49
Rot. Bonds3

About N'-(2,2-difluoropropyl)-N'-methylmethanediamine

N'-(2,2-difluoropropyl)-N'-methylmethanediamine (PubChem CID 134422157) has the molecular formula C5H12F2N2 and a molecular weight of 138.16 g/mol. Its IUPAC name is N'-(2,2-difluoropropyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(2,2-difluoropropyl)-N'-methylmethanediamine
PubChem CID134422157
Molecular FormulaC5H12F2N2
Molecular Weight138.16 g/mol
Exact Mass138.10
IUPAC NameN'-(2,2-difluoropropyl)-N'-methylmethanediamine
SMILESCN(CN)CC(C)(F)F
InChIInChI=1S/C5H12F2N2/c1-5(6,7)3-9(2)4-8/h3-4,8H2,1-2H3
InChIKeyWHPKZYCWTFFJBR-UHFFFAOYSA-N
XLogP0.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine
CID 23568513
N'-fluoro-N'-methylmethanediamine
CID 150625452
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
CID 166136882
S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane
CID 163275169
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950
2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
CID 165462267
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine
CID 144977225
N-(2,2-difluoropropyl)-N-methylazetidin-3-amine
CID 84651854
N-(chloromethyl)-N,2,2-trimethylpropan-1-amine
CID 115263125
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine
CID 118531508

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoropropyl)-N'-methylmethanediamine?
The IUPAC name of N'-(2,2-difluoropropyl)-N'-methylmethanediamine (CID 134422157) is N'-(2,2-difluoropropyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(2,2-difluoropropyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(2,2-difluoropropyl)-N'-methylmethanediamine is CN(CN)CC(C)(F)F.
What is the InChIKey of N'-(2,2-difluoropropyl)-N'-methylmethanediamine?
The InChIKey is WHPKZYCWTFFJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2/c1-5(6,7)3-9(2)4-8/h3-4,8H2,1-2H3.
What are the key properties of N'-(2,2-difluoropropyl)-N'-methylmethanediamine?
N'-(2,2-difluoropropyl)-N'-methylmethanediamine has a molecular weight of 138.16 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoropropyl)-N'-methylmethanediamine is sourced from PubChem (CID 134422157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).