1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C10H8F6OS — CID 103309357

IUPAC1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C10H8F6OS/c1-2-5-3-4-6(18-5)7(17)8(9(11,12)13)10(14,15)16/h3-4,8H,2H2,1H3
InChIKeyGXUHSUDCWBDAOM-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.23
Rot. Bonds3

About 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103309357) has the molecular formula C10H8F6OS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103309357
Molecular FormulaC10H8F6OS
Molecular Weight290.23 g/mol
Exact Mass290.02
IUPAC Name1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C10H8F6OS/c1-2-5-3-4-6(18-5)7(17)8(9(11,12)13)10(14,15)16/h3-4,8H,2H2,1H3
InChIKeyGXUHSUDCWBDAOM-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103309357) is 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is CCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is GXUHSUDCWBDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6OS/c1-2-5-3-4-6(18-5)7(17)8(9(11,12)13)10(14,15)16/h3-4,8H,2H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 290.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).