1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one

C10H8F6OS — CID 103311463

IUPAC1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one
SMILESO=C(CCc1cccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6OS/c11-9(12,13)8(10(14,15)16)7(17)4-3-6-2-1-5-18-6/h1-2,5,8H,3-4H2
InChIKeyZSTXNLSMMCKVJI-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.99
Rot. Bonds4

About 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one

1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one (PubChem CID 103311463) has the molecular formula C10H8F6OS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one.

Molecular Properties

Compound Name1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one
PubChem CID103311463
Molecular FormulaC10H8F6OS
Molecular Weight290.23 g/mol
Exact Mass290.02
IUPAC Name1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one
SMILESO=C(CCc1cccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6OS/c11-9(12,13)8(10(14,15)16)7(17)4-3-6-2-1-5-18-6/h1-2,5,8H,3-4H2
InChIKeyZSTXNLSMMCKVJI-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one?
The IUPAC name of 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one (CID 103311463) is 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one.
What is the SMILES notation for 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one?
The canonical SMILES for 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one is O=C(CCc1cccs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one?
The InChIKey is ZSTXNLSMMCKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6OS/c11-9(12,13)8(10(14,15)16)7(17)4-3-6-2-1-5-18-6/h1-2,5,8H,3-4H2.
What are the key properties of 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one?
1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one has a molecular weight of 290.23 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-thiophen-2-yl-2-(trifluoromethyl)pentan-3-one is sourced from PubChem (CID 103311463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).