ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine

C10H14F3NS — CID 155737671

IUPACethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESC=C.CC(C)c1cc(N)c(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NS.C2H4/c1-4(2)6-3-5(12)7(13-6)8(9,10)11;1-2/h3-4H,12H2,1-2H3;1-2H2
InChIKeyQDLFJJJGEPHLND-UHFFFAOYSA-N
MW237.29 g/mol
LogP4.27
Rot. Bonds1

About ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine

ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine (PubChem CID 155737671) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound Nameethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine
PubChem CID155737671
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Nameethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESC=C.CC(C)c1cc(N)c(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NS.C2H4/c1-4(2)6-3-5(12)7(13-6)8(9,10)11;1-2/h3-4H,12H2,1-2H3;1-2H2
InChIKeyQDLFJJJGEPHLND-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 54.27
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 ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine (CID 155737671) is ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine is C=C.CC(C)c1cc(N)c(C(F)(F)F)s1.
What is the InChIKey of ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The InChIKey is QDLFJJJGEPHLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS.C2H4/c1-4(2)6-3-5(12)7(13-6)8(9,10)11;1-2/h3-4H,12H2,1-2H3;1-2H2.
What are the key properties of ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine has a molecular weight of 237.29 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-propan-2-yl-2-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 155737671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).