1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine

C6H12F3NS2 — CID 116616183

IUPAC1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCSC(F)(F)F
InChIInChI=1S/C6H12F3NS2/c1-5(10)4-11-2-3-12-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyIZJHKMWPKBWVTH-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine

1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine (PubChem CID 116616183) has the molecular formula C6H12F3NS2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
PubChem CID116616183
Molecular FormulaC6H12F3NS2
Molecular Weight219.30 g/mol
Exact Mass219.04
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCSC(F)(F)F
InChIInChI=1S/C6H12F3NS2/c1-5(10)4-11-2-3-12-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyIZJHKMWPKBWVTH-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trifluoroethylsulfanyl)propan-2-amine
CID 66219470
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
1-(4-methylpentylsulfanyl)propan-2-amine
CID 83158887
4-(2-aminopropylsulfanyl)butan-1-ol
CID 66217716
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
1-[3-(methylamino)propylsulfanyl]propan-2-amine
CID 106318358
3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol
CID 116616904
(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
CID 143500605
6-(2-aminopropylsulfanyl)-2,2-dimethylhexanenitrile
CID 106712545
(2R)-4-(2,2,2-trifluoroethylsulfanyl)butan-2-amine
CID 130236510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine (CID 116616183) is 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine is CC(N)CSCCSC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine?
The InChIKey is IZJHKMWPKBWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NS2/c1-5(10)4-11-2-3-12-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine?
1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine has a molecular weight of 219.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 116616183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).