N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide

C6H11F3N2O — CID 18752931

IUPACN-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-11(2)4-3-10-5(12)6(7,8)9/h3-4H2,1-2H3,(H,10,12)
InChIKeySHXZHUMBDNUFCU-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.23
Rot. Bonds3

About N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide

N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 18752931) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
PubChem CID18752931
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-11(2)4-3-10-5(12)6(7,8)9/h3-4H2,1-2H3,(H,10,12)
InChIKeySHXZHUMBDNUFCU-UHFFFAOYSA-N
XLogP0.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide (CID 18752931) is N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide is CN(C)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is SHXZHUMBDNUFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-11(2)4-3-10-5(12)6(7,8)9/h3-4H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 184.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18752931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).