N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine

C7H14F3NS — CID 134066691

IUPACN,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine
SMILESCN(C)CCSCCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-11(2)4-6-12-5-3-7(8,9)10/h3-6H2,1-2H3
InChIKeyPVCUPBYKEDBYHY-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.23
Rot. Bonds5

About N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine

N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine (PubChem CID 134066691) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine
PubChem CID134066691
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC NameN,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine
SMILESCN(C)CCSCCC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-11(2)4-6-12-5-3-7(8,9)10/h3-6H2,1-2H3
InChIKeyPVCUPBYKEDBYHY-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine (CID 134066691) is N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine is CN(C)CCSCCC(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine?
The InChIKey is PVCUPBYKEDBYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-11(2)4-6-12-5-3-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine?
N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine has a molecular weight of 201.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3,3,3-trifluoropropylsulfanyl)ethanamine is sourced from PubChem (CID 134066691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).