(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine

C10H12F3NS — CID 171211776

IUPAC(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1SC(F)(F)F
InChIInChI=1S/C10H12F3NS/c1-2-8(14)7-5-3-4-6-9(7)15-10(11,12)13/h3-6,8H,2,14H2,1H3/t8-/m1/s1
InChIKeySWQPKPDEFDTOGE-MRVPVSSYSA-N
MW235.27 g/mol
LogP3.71
Rot. Bonds3

About (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine

(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine (PubChem CID 171211776) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
PubChem CID171211776
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1SC(F)(F)F
InChIInChI=1S/C10H12F3NS/c1-2-8(14)7-5-3-4-6-9(7)15-10(11,12)13/h3-6,8H,2,14H2,1H3/t8-/m1/s1
InChIKeySWQPKPDEFDTOGE-MRVPVSSYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171211767
ethyl (3S)-3-amino-3-[2-(trifluoromethylsulfanyl)phenyl]propanoate
CID 171231427
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 171211790
(1S)-1-[2-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171231380
(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
(2S)-2-(methylamino)-2-[2-(trifluoromethylsulfanyl)phenyl]ethanol
CID 165353098
1-(dichloromethyl)-2-(trifluoromethylsulfanyl)benzene
CID 121233972
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine (CID 171211776) is (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1SC(F)(F)F.
What is the InChIKey of (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The InChIKey is SWQPKPDEFDTOGE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3NS/c1-2-8(14)7-5-3-4-6-9(7)15-10(11,12)13/h3-6,8H,2,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine is sourced from PubChem (CID 171211776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).