2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride

C9H10ClF4N — CID 166403152

IUPAC2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
SMILESCc1c(F)cccc1C(N)C(F)(F)F.Cl
InChIInChI=1S/C9H9F4N.ClH/c1-5-6(3-2-4-7(5)10)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H
InChIKeyBPIFCQLNOWDGDJ-UHFFFAOYSA-N
MW243.63 g/mol
LogP3.12
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride

2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride (PubChem CID 166403152) has the molecular formula C9H10ClF4N and a molecular weight of 243.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
PubChem CID166403152
Molecular FormulaC9H10ClF4N
Molecular Weight243.63 g/mol
Exact Mass243.04
IUPAC Name2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
SMILESCc1c(F)cccc1C(N)C(F)(F)F.Cl
InChIInChI=1S/C9H9F4N.ClH/c1-5-6(3-2-4-7(5)10)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H
InChIKeyBPIFCQLNOWDGDJ-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
CID 171267758
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171313633
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
(1S,2R)-1-amino-1-(3-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171267756
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine
CID 134168222
1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride (CID 166403152) is 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride is Cc1c(F)cccc1C(N)C(F)(F)F.Cl.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride?
The InChIKey is BPIFCQLNOWDGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N.ClH/c1-5-6(3-2-4-7(5)10)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H.
What are the key properties of 2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride?
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride has a molecular weight of 243.63 g/mol, XLogP of 3.12, 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-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 166403152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).