(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

C10H13ClF3NO2S — CID 171198393

IUPAC(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H](N)CC(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO2S.ClH/c1-17(15,16)8-4-2-7(3-5-8)9(14)6-10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1
InChIKeyORJIGVBPWDSYEF-SBSPUUFOSA-N
MW303.73 g/mol
LogP2.46
Rot. Bonds3

About (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (PubChem CID 171198393) has the molecular formula C10H13ClF3NO2S and a molecular weight of 303.73 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
PubChem CID171198393
Molecular FormulaC10H13ClF3NO2S
Molecular Weight303.73 g/mol
Exact Mass303.03
IUPAC Name(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H](N)CC(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO2S.ClH/c1-17(15,16)8-4-2-7(3-5-8)9(14)6-10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1
InChIKeyORJIGVBPWDSYEF-SBSPUUFOSA-N
XLogP2.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392
(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
CID 171217913
(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217912
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
(1R)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 171198397
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-3,3-difluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171312805
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
4-[(1R)-1-amino-3,3,3-trifluoropropyl]benzoic acid;hydrochloride
CID 171198138
(1S)-3-methyl-1-(4-methylsulfonylphenyl)but-3-en-1-amine;hydrochloride
CID 171217926
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (CID 171198393) is (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is CS(=O)(=O)c1ccc([C@H](N)CC(F)(F)F)cc1.Cl.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The InChIKey is ORJIGVBPWDSYEF-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12F3NO2S.ClH/c1-17(15,16)8-4-2-7(3-5-8)9(14)6-10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride has a molecular weight of 303.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171198393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).