1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one

C9H7Cl2F3OS — CID 107967739

IUPAC1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H7Cl2F3OS/c10-7-4-5(8(11)16-7)6(15)2-1-3-9(12,13)14/h4H,1-3H2
InChIKeyUEPHZQPJTPEJAL-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.97
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one

1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 107967739) has the molecular formula C9H7Cl2F3OS and a molecular weight of 291.12 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one
PubChem CID107967739
Molecular FormulaC9H7Cl2F3OS
Molecular Weight291.12 g/mol
Exact Mass289.95
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H7Cl2F3OS/c10-7-4-5(8(11)16-7)6(15)2-1-3-9(12,13)14/h4H,1-3H2
InChIKeyUEPHZQPJTPEJAL-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one (CID 107967739) is 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is UEPHZQPJTPEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3OS/c10-7-4-5(8(11)16-7)6(15)2-1-3-9(12,13)14/h4H,1-3H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one?
1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 291.12 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 107967739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).