(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride

C10H11ClF5N — CID 171312531

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1ccccc1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C10H10F5N.ClH/c1-6-4-2-3-5-7(6)8(16)9(11,12)10(13,14)15;/h2-5,8H,16H2,1H3;1H/t8-;/m1./s1
InChIKeyKEZWAGWXCMLXIX-DDWIOCJRSA-N
MW275.65 g/mol
LogP3.61
Rot. Bonds2

About (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171312531) has the molecular formula C10H11ClF5N and a molecular weight of 275.65 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171312531
Molecular FormulaC10H11ClF5N
Molecular Weight275.65 g/mol
Exact Mass275.05
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1ccccc1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C10H10F5N.ClH/c1-6-4-2-3-5-7(6)8(16)9(11,12)10(13,14)15;/h2-5,8H,16H2,1H3;1H/t8-;/m1./s1
InChIKeyKEZWAGWXCMLXIX-DDWIOCJRSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-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

(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171311703
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171311782
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410
(1S)-1-(2,6-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311616
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
methyl 2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]benzoate
CID 171311860
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
2-N,2-dimethyl-1-(2-methylphenyl)propane-1,2-diamine
CID 116938951
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311871
(1R)-1-(2-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312338

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride (CID 171312531) is (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride is Cc1ccccc1[C@@H](N)C(F)(F)C(F)(F)F.Cl.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is KEZWAGWXCMLXIX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F5N.ClH/c1-6-4-2-3-5-7(6)8(16)9(11,12)10(13,14)15;/h2-5,8H,16H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 275.65 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).