2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide

C7H14F2N2O — CID 103514245

IUPAC2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCN(C)C(=O)C(F)F
InChIInChI=1S/C7H14F2N2O/c1-10-4-3-5-11(2)7(12)6(8)9/h6,10H,3-5H2,1-2H3
InChIKeyHIUFFFPHIMYKIT-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.32
Rot. Bonds5

About 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide

2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide (PubChem CID 103514245) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
PubChem CID103514245
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCN(C)C(=O)C(F)F
InChIInChI=1S/C7H14F2N2O/c1-10-4-3-5-11(2)7(12)6(8)9/h6,10H,3-5H2,1-2H3
InChIKeyHIUFFFPHIMYKIT-UHFFFAOYSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
N-[2-(dimethylamino)ethyl]-2,2-difluoro-N-methylacetamide
CID 103515493
methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
CID 112617466
(2S,3R)-3-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 104966438
(2R)-4-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 107828444
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
2-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104570155
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
2,2-difluoro-N,N'-dimethylacetohydrazide
CID 12596295

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide (CID 103514245) is 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide is CNCCCN(C)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide?
The InChIKey is HIUFFFPHIMYKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-10-4-3-5-11(2)7(12)6(8)9/h6,10H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide?
2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide has a molecular weight of 180.20 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 103514245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).