2,2,2-trifluoro-1-phenylethanamine;hydrochloride

C8H9ClF3N — CID 12622930

IUPAC2,2,2-trifluoro-1-phenylethanamine;hydrochloride
SMILESCl.NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H
InChIKeyLCQGOISHUDYBOS-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.67
Rot. Bonds1

About 2,2,2-trifluoro-1-phenylethanamine;hydrochloride

2,2,2-trifluoro-1-phenylethanamine;hydrochloride (PubChem CID 12622930) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenylethanamine;hydrochloride
PubChem CID12622930
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name2,2,2-trifluoro-1-phenylethanamine;hydrochloride
SMILESCl.NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H
InChIKeyLCQGOISHUDYBOS-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Phenethylamine
CID 7408
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CID 68315
4-Fluorobenzylamine
CID 67326
1-Methyl-3-phenylpropylamine
CID 31160
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenylethanamine;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-phenylethanamine;hydrochloride (CID 12622930) is 2,2,2-trifluoro-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-phenylethanamine;hydrochloride is Cl.NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenylethanamine;hydrochloride?
The InChIKey is LCQGOISHUDYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H.
What are the key properties of 2,2,2-trifluoro-1-phenylethanamine;hydrochloride?
2,2,2-trifluoro-1-phenylethanamine;hydrochloride has a molecular weight of 211.61 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 12622930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).