N'-fluoro-N'-methylmethanediamine

C2H7FN2 — CID 150625452

IUPACN'-fluoro-N'-methylmethanediamine
SMILESCN(F)CN
InChIInChI=1S/C2H7FN2/c1-5(3)2-4/h2,4H2,1H3
InChIKeyIWUCHFKAVLZIBD-UHFFFAOYSA-N
MW78.09 g/mol
LogP-0.28
Rot. Bonds1

About N'-fluoro-N'-methylmethanediamine

N'-fluoro-N'-methylmethanediamine (PubChem CID 150625452) has the molecular formula C2H7FN2 and a molecular weight of 78.09 g/mol. Its IUPAC name is N'-fluoro-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-fluoro-N'-methylmethanediamine
PubChem CID150625452
Molecular FormulaC2H7FN2
Molecular Weight78.09 g/mol
Exact Mass78.06
IUPAC NameN'-fluoro-N'-methylmethanediamine
SMILESCN(F)CN
InChIInChI=1S/C2H7FN2/c1-5(3)2-4/h2,4H2,1H3
InChIKeyIWUCHFKAVLZIBD-UHFFFAOYSA-N
XLogP-0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-fluoro-N'-methylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,2-difluoropropyl)-N'-methylmethanediamine
CID 134422157
1-fluoro-1-methylhydrazine
CID 142330194
2-aminoethanol;N,N-dimethylmethanamine
CID 159503972
2-aminoethanol;N,N-dimethylmethanamine;dihydrate
CID 174282779
2-aminoethanol;N,N-dimethylmethanamine;hydrochloride
CID 174601268
N,N-dimethylmethanamine;ethanamine;hydrochloride
CID 172712610
ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine
CID 144977225
N-(aminomethyl)-N-methylformamide
CID 57084326
1,1-difluoro-2,2-dimethylhydrazine
CID 71350299
N-chloro-N-fluoromethanamine
CID 57464082
N-(aminomethyl)-N-methylmethanesulfonamide
CID 154939817
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835

Frequently Asked Questions

What is the IUPAC name of N'-fluoro-N'-methylmethanediamine?
The IUPAC name of N'-fluoro-N'-methylmethanediamine (CID 150625452) is N'-fluoro-N'-methylmethanediamine.
What is the SMILES notation for N'-fluoro-N'-methylmethanediamine?
The canonical SMILES for N'-fluoro-N'-methylmethanediamine is CN(F)CN.
What is the InChIKey of N'-fluoro-N'-methylmethanediamine?
The InChIKey is IWUCHFKAVLZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7FN2/c1-5(3)2-4/h2,4H2,1H3.
What are the key properties of N'-fluoro-N'-methylmethanediamine?
N'-fluoro-N'-methylmethanediamine has a molecular weight of 78.09 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-fluoro-N'-methylmethanediamine is sourced from PubChem (CID 150625452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).