2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine

C9H11F3N2 — CID 116914393

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine
SMILESCN(C)C(c1ccncc1)C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-14(2)8(9(10,11)12)7-3-5-13-6-4-7/h3-6,8H,1-2H3
InChIKeyDWGWLXRBYCFGFN-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.25
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine

2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine (PubChem CID 116914393) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine
PubChem CID116914393
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine
SMILESCN(C)C(c1ccncc1)C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-14(2)8(9(10,11)12)7-3-5-13-6-4-7/h3-6,8H,1-2H3
InChIKeyDWGWLXRBYCFGFN-UHFFFAOYSA-N
XLogP2.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine (CID 116914393) is 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine is CN(C)C(c1ccncc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine?
The InChIKey is DWGWLXRBYCFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-14(2)8(9(10,11)12)7-3-5-13-6-4-7/h3-6,8H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine has a molecular weight of 204.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 116914393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).