6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one

C13H18F3NOS — CID 112745667

IUPAC6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one
SMILESCCC(CCN)CCC(=O)c1cscc1C(F)(F)F
InChIInChI=1S/C13H18F3NOS/c1-2-9(5-6-17)3-4-12(18)10-7-19-8-11(10)13(14,15)16/h7-9H,2-6,17H2,1H3
InChIKeyBJBABABASBNGAF-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.10
Rot. Bonds7

About 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one

6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one (PubChem CID 112745667) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one
PubChem CID112745667
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one
SMILESCCC(CCN)CCC(=O)c1cscc1C(F)(F)F
InChIInChI=1S/C13H18F3NOS/c1-2-9(5-6-17)3-4-12(18)10-7-19-8-11(10)13(14,15)16/h7-9H,2-6,17H2,1H3
InChIKeyBJBABABASBNGAF-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one (CID 112745667) is 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one is CCC(CCN)CCC(=O)c1cscc1C(F)(F)F.
What is the InChIKey of 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one?
The InChIKey is BJBABABASBNGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-9(5-6-17)3-4-12(18)10-7-19-8-11(10)13(14,15)16/h7-9H,2-6,17H2,1H3.
What are the key properties of 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one?
6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one has a molecular weight of 293.35 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-one is sourced from PubChem (CID 112745667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).