1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine

C8H9F2NS — CID 55271008

IUPAC1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine
SMILESC=CC(N)c1csc(C(F)F)c1
InChIInChI=1S/C8H9F2NS/c1-2-6(11)5-3-7(8(9)10)12-4-5/h2-4,6,8H,1,11H2
InChIKeyXTZJSSJIDUDDGP-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.87
Rot. Bonds3

About 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine

1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine (PubChem CID 55271008) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine
PubChem CID55271008
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine
SMILESC=CC(N)c1csc(C(F)F)c1
InChIInChI=1S/C8H9F2NS/c1-2-6(11)5-3-7(8(9)10)12-4-5/h2-4,6,8H,1,11H2
InChIKeyXTZJSSJIDUDDGP-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.87
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 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine (CID 55271008) is 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine is C=CC(N)c1csc(C(F)F)c1.
What is the InChIKey of 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine?
The InChIKey is XTZJSSJIDUDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-2-6(11)5-3-7(8(9)10)12-4-5/h2-4,6,8H,1,11H2.
What are the key properties of 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine?
1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine has a molecular weight of 189.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)thiophen-3-yl]prop-2-en-1-amine is sourced from PubChem (CID 55271008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).