(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride

C10H10ClF6N — CID 171312332

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1F.Cl
InChIInChI=1S/C10H9F6N.ClH/c1-5-2-3-6(4-7(5)11)8(17)9(12,13)10(14,15)16;/h2-4,8H,17H2,1H3;1H/t8-;/m1./s1
InChIKeySJAUJEDKIMMZLX-DDWIOCJRSA-N
MW293.64 g/mol
LogP3.75
Rot. Bonds2

About (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171312332) has the molecular formula C10H10ClF6N and a molecular weight of 293.64 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171312332
Molecular FormulaC10H10ClF6N
Molecular Weight293.64 g/mol
Exact Mass293.04
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1F.Cl
InChIInChI=1S/C10H9F6N.ClH/c1-5-2-3-6(4-7(5)11)8(17)9(12,13)10(14,15)16;/h2-4,8H,17H2,1H3;1H/t8-;/m1./s1
InChIKeySJAUJEDKIMMZLX-DDWIOCJRSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
(1R)-2,2,3,3,3-pentafluoro-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 171312383
(1S)-2,2,3,3,3-pentafluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171311762
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171311910
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311822
2-N,2-N-diethyl-1-(3-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 107128883
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 171312213
(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 93268532
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride (CID 171312332) is (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride is Cc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1F.Cl.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is SJAUJEDKIMMZLX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9F6N.ClH/c1-5-2-3-6(4-7(5)11)8(17)9(12,13)10(14,15)16;/h2-4,8H,17H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 293.64 g/mol, XLogP of 3.75, 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-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).