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

C8H11F3NS+ — CID 167407503

IUPAC[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium
SMILESCC(C)c1cc([NH3+])c(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NS/c1-4(2)6-3-5(12)7(13-6)8(9,10)11/h3-4H,12H2,1-2H3/p+1
InChIKeyISWXHGLJKVYHKY-UHFFFAOYSA-O
MW210.24 g/mol
LogP2.76
Rot. Bonds1

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

[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium (PubChem CID 167407503) has the molecular formula C8H11F3NS+ and a molecular weight of 210.24 g/mol. Its IUPAC name is [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium.

Molecular Properties

Compound Name[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium
PubChem CID167407503
Molecular FormulaC8H11F3NS+
Molecular Weight210.24 g/mol
Exact Mass210.06
IUPAC Name[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium
SMILESCC(C)c1cc([NH3+])c(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NS/c1-4(2)6-3-5(12)7(13-6)8(9,10)11/h3-4H,12H2,1-2H3/p+1
InChIKeyISWXHGLJKVYHKY-UHFFFAOYSA-O
XLogP2.76
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium?
The IUPAC name of [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium (CID 167407503) is [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium.
What is the SMILES notation for [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium?
The canonical SMILES for [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium is CC(C)c1cc([NH3+])c(C(F)(F)F)s1.
What is the InChIKey of [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium?
The InChIKey is ISWXHGLJKVYHKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10F3NS/c1-4(2)6-3-5(12)7(13-6)8(9,10)11/h3-4H,12H2,1-2H3/p+1.
What are the key properties of [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium?
[5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium has a molecular weight of 210.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-2-(trifluoromethyl)thiophen-3-yl]azanium is sourced from PubChem (CID 167407503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).