(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride

C9H11ClF3N — CID 67693696

IUPAC(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride
SMILESC[C@](N)(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-8(13,9(10,11)12)7-5-3-2-4-6-7;/h2-6H,13H2,1H3;1H/t8-;/m0./s1
InChIKeyUNACEMBLKCAJJY-QRPNPIFTSA-N
MW225.64 g/mol
LogP2.84
Rot. Bonds1

About (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride

(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride (PubChem CID 67693696) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride
PubChem CID67693696
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride
SMILESC[C@](N)(c1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-8(13,9(10,11)12)7-5-3-2-4-6-7;/h2-6H,13H2,1H3;1H/t8-;/m0./s1
InChIKeyUNACEMBLKCAJJY-QRPNPIFTSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;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

4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline
CID 63897166
1,1-diphenylethanamine
CID 12761172
1,1-difluoroethylbenzene
CID 10942535
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
(1R)-1-iodo-1-phenylethanamine
CID 68727841
1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-phenylethyl]benzene
CID 20557378
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride?
The IUPAC name of (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride (CID 67693696) is (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride is C[C@](N)(c1ccccc1)C(F)(F)F.Cl.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride?
The InChIKey is UNACEMBLKCAJJY-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H10F3N.ClH/c1-8(13,9(10,11)12)7-5-3-2-4-6-7;/h2-6H,13H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride?
(2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 67693696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).