1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone

C14H8F6OS — CID 146008691

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6OS/c15-13(16,17)9-4-8(5-10(6-9)14(18,19)20)12(21)7-11-2-1-3-22-11/h1-6H,7H2
InChIKeyZOTRXKBPIJTGPH-UHFFFAOYSA-N
MW338.27 g/mol
LogP5.21
Rot. Bonds3

About 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone

1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone (PubChem CID 146008691) has the molecular formula C14H8F6OS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
PubChem CID146008691
Molecular FormulaC14H8F6OS
Molecular Weight338.27 g/mol
Exact Mass338.02
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6OS/c15-13(16,17)9-4-8(5-10(6-9)14(18,19)20)12(21)7-11-2-1-3-22-11/h1-6H,7H2
InChIKeyZOTRXKBPIJTGPH-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.27
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105088699
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
CID 3327073
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008833
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone
CID 146006710
1-[3,5-bis(trifluoromethyl)phenyl]-2-iodoethanone
CID 22138000
1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
CID 81221087
5,5,5-trifluoro-1-thiophen-2-ylpentan-2-one
CID 64565094
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
CID 174746651

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone (CID 146008691) is 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
The InChIKey is ZOTRXKBPIJTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6OS/c15-13(16,17)9-4-8(5-10(6-9)14(18,19)20)12(21)7-11-2-1-3-22-11/h1-6H,7H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone?
1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone has a molecular weight of 338.27 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 146008691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).