2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide

C10H21F2N3O — CID 107494429

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(CCN)CC(F)F
InChIInChI=1S/C10H21F2N3O/c1-3-15(4-2)10(16)8-14(6-5-13)7-9(11)12/h9H,3-8,13H2,1-2H3
InChIKeyPHAJSHVAGOJXLK-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.38
Rot. Bonds8

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide (PubChem CID 107494429) has the molecular formula C10H21F2N3O and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
PubChem CID107494429
Molecular FormulaC10H21F2N3O
Molecular Weight237.29 g/mol
Exact Mass237.17
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(CCN)CC(F)F
InChIInChI=1S/C10H21F2N3O/c1-3-15(4-2)10(16)8-14(6-5-13)7-9(11)12/h9H,3-8,13H2,1-2H3
InChIKeyPHAJSHVAGOJXLK-UHFFFAOYSA-N
XLogP0.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
CID 107494484
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 107485089
N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride
CID 75493602
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 107494621
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
2-[2,2-difluoroethyl(ethyl)amino]acetic acid
CID 61011889
2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
CID 61453369
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide (CID 107494429) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide?
The InChIKey is PHAJSHVAGOJXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3O/c1-3-15(4-2)10(16)8-14(6-5-13)7-9(11)12/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide has a molecular weight of 237.29 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 107494429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).