N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine

C9H10F3NS — CID 130710984

IUPACN-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESC=CC(C)Nc1ccsc1C(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-3-6(2)13-7-4-5-14-8(7)9(10,11)12/h3-6,13H,1H2,2H3
InChIKeyPIWQHNFNFRNFEZ-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.75
Rot. Bonds3

About N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine

N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine (PubChem CID 130710984) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine
PubChem CID130710984
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC NameN-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESC=CC(C)Nc1ccsc1C(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-3-6(2)13-7-4-5-14-8(7)9(10,11)12/h3-6,13H,1H2,2H3
InChIKeyPIWQHNFNFRNFEZ-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine (CID 130710984) is N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine is C=CC(C)Nc1ccsc1C(F)(F)F.
What is the InChIKey of N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The InChIKey is PIWQHNFNFRNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-3-6(2)13-7-4-5-14-8(7)9(10,11)12/h3-6,13H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine?
N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine has a molecular weight of 221.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 130710984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).