N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide

C9H17F3N2O — CID 63226531

IUPACN,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
SMILESCCN(CC)C(=O)CNCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-3-14(4-2)8(15)7-13-6-5-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyHDNCODVZMBSMPQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.40
Rot. Bonds6

About N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide

N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide (PubChem CID 63226531) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
PubChem CID63226531
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
SMILESCCN(CC)C(=O)CNCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-3-14(4-2)8(15)7-13-6-5-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyHDNCODVZMBSMPQ-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.40
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

N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79281708
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721266
N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115771238
N,N-diethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]acetamide
CID 104562812
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide (CID 63226531) is N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide is CCN(CC)C(=O)CNCCC(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide?
The InChIKey is HDNCODVZMBSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-3-14(4-2)8(15)7-13-6-5-9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide?
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide is sourced from PubChem (CID 63226531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).