2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride

C4H9ClF3N — CID 87517073

IUPAC2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CC(F)(F)F.Cl
InChIInChI=1S/C4H8F3N.ClH/c1-8(2)3-4(5,6)7;/h3H2,1-2H3;1H
InChIKeyUZLKCAOLZCDCHK-UHFFFAOYSA-N
MW163.57 g/mol
LogP1.53
Rot. Bonds1

About 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride

2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride (PubChem CID 87517073) has the molecular formula C4H9ClF3N and a molecular weight of 163.57 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
PubChem CID87517073
Molecular FormulaC4H9ClF3N
Molecular Weight163.57 g/mol
Exact Mass163.04
IUPAC Name2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CC(F)(F)F.Cl
InChIInChI=1S/C4H8F3N.ClH/c1-8(2)3-4(5,6)7;/h3H2,1-2H3;1H
InChIKeyUZLKCAOLZCDCHK-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.57
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride (CID 87517073) is 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride is CN(C)CC(F)(F)F.Cl.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride?
The InChIKey is UZLKCAOLZCDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N.ClH/c1-8(2)3-4(5,6)7;/h3H2,1-2H3;1H.
What are the key properties of 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride?
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride has a molecular weight of 163.57 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 87517073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).