N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine

C7H10F3NS — CID 87157551

IUPACN-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)SC(F)(F)F
InChIInChI=1S/C7H10F3NS/c1-3-5-11(6-4-2)12-7(8,9)10/h3-4H,1-2,5-6H2
InChIKeyXYTSPDZEYPXCCL-UHFFFAOYSA-N
MW197.22 g/mol
LogP2.83
Rot. Bonds5

About N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine

N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine (PubChem CID 87157551) has the molecular formula C7H10F3NS and a molecular weight of 197.22 g/mol. Its IUPAC name is N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine
PubChem CID87157551
Molecular FormulaC7H10F3NS
Molecular Weight197.22 g/mol
Exact Mass197.05
IUPAC NameN-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)SC(F)(F)F
InChIInChI=1S/C7H10F3NS/c1-3-5-11(6-4-2)12-7(8,9)10/h3-4H,1-2,5-6H2
InChIKeyXYTSPDZEYPXCCL-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine (CID 87157551) is N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine is C=CCN(CC=C)SC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine?
The InChIKey is XYTSPDZEYPXCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NS/c1-3-5-11(6-4-2)12-7(8,9)10/h3-4H,1-2,5-6H2.
What are the key properties of N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine?
N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine has a molecular weight of 197.22 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(trifluoromethylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 87157551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).