2-(dimethylamino)ethyl 2,2,2-trifluoroacetate

C6H10F3NO2 — CID 23019467

IUPAC2-(dimethylamino)ethyl 2,2,2-trifluoroacetate
SMILESCN(C)CCOC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(2)3-4-12-5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyBYDNRFZPWOFIKM-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.65
Rot. Bonds3

About 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate

2-(dimethylamino)ethyl 2,2,2-trifluoroacetate (PubChem CID 23019467) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2,2,2-trifluoroacetate
PubChem CID23019467
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-(dimethylamino)ethyl 2,2,2-trifluoroacetate
SMILESCN(C)CCOC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(2)3-4-12-5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyBYDNRFZPWOFIKM-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate (CID 23019467) is 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate is CN(C)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate?
The InChIKey is BYDNRFZPWOFIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-10(2)3-4-12-5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate?
2-(dimethylamino)ethyl 2,2,2-trifluoroacetate has a molecular weight of 185.14 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 23019467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).