N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide

C9H8F3NOS — CID 139018855

IUPACN-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccsc1C(F)(F)F
InChIInChI=1S/C9H8F3NOS/c1-2-7(14)13-5-6-3-4-15-8(6)9(10,11)12/h2-4H,1,5H2,(H,13,14)
InChIKeyVZCIVNHHQDMMEZ-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.57
Rot. Bonds3

About N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide

N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide (PubChem CID 139018855) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide
PubChem CID139018855
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC NameN-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccsc1C(F)(F)F
InChIInChI=1S/C9H8F3NOS/c1-2-7(14)13-5-6-3-4-15-8(6)9(10,11)12/h2-4H,1,5H2,(H,13,14)
InChIKeyVZCIVNHHQDMMEZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide (CID 139018855) is N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide is C=CC(=O)NCc1ccsc1C(F)(F)F.
What is the InChIKey of N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide?
The InChIKey is VZCIVNHHQDMMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c1-2-7(14)13-5-6-3-4-15-8(6)9(10,11)12/h2-4H,1,5H2,(H,13,14).
What are the key properties of N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide?
N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide has a molecular weight of 235.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 139018855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).