N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine

C9H10F3NS — CID 162620557

IUPACN-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine
SMILESC=Nc1cc(C(C)C)sc1C(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-5(2)7-4-6(13-3)8(14-7)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyRTBAKNDZJKLIKH-UHFFFAOYSA-N
MW221.25 g/mol
LogP4.22
Rot. Bonds2

About N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine

N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine (PubChem CID 162620557) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine
PubChem CID162620557
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC NameN-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine
SMILESC=Nc1cc(C(C)C)sc1C(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-5(2)7-4-6(13-3)8(14-7)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyRTBAKNDZJKLIKH-UHFFFAOYSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine?
The IUPAC name of N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine (CID 162620557) is N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine.
What is the SMILES notation for N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine?
The canonical SMILES for N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine is C=Nc1cc(C(C)C)sc1C(F)(F)F.
What is the InChIKey of N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine?
The InChIKey is RTBAKNDZJKLIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-5(2)7-4-6(13-3)8(14-7)9(10,11)12/h4-5H,3H2,1-2H3.
What are the key properties of N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine?
N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine has a molecular weight of 221.25 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]methanimine is sourced from PubChem (CID 162620557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).