N,N-dimethyl-2-(trifluoromethoxy)ethanamine

C5H10F3NO — CID 122581363

IUPACN,N-dimethyl-2-(trifluoromethoxy)ethanamine
SMILESCN(C)CCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(2)3-4-10-5(6,7)8/h3-4H2,1-2H3
InChIKeyKPWWGQWZNWRORB-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.08
Rot. Bonds3

About N,N-dimethyl-2-(trifluoromethoxy)ethanamine

N,N-dimethyl-2-(trifluoromethoxy)ethanamine (PubChem CID 122581363) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethoxy)ethanamine
PubChem CID122581363
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC NameN,N-dimethyl-2-(trifluoromethoxy)ethanamine
SMILESCN(C)CCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(2)3-4-10-5(6,7)8/h3-4H2,1-2H3
InChIKeyKPWWGQWZNWRORB-UHFFFAOYSA-N
XLogP1.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(trifluoromethoxy)ethanamine (CID 122581363) is N,N-dimethyl-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethoxy)ethanamine is CN(C)CCOC(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethoxy)ethanamine?
The InChIKey is KPWWGQWZNWRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-9(2)3-4-10-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(trifluoromethoxy)ethanamine?
N,N-dimethyl-2-(trifluoromethoxy)ethanamine has a molecular weight of 157.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 122581363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).