2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone

C9H8F4O2S — CID 43800957

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone
SMILESO=C(COCC(F)(F)C(F)F)c1cccs1
InChIInChI=1S/C9H8F4O2S/c10-8(11)9(12,13)5-15-4-6(14)7-2-1-3-16-7/h1-3,8H,4-5H2
InChIKeyWWJNFKCIPNALHO-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.85
Rot. Bonds6

About 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone

2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone (PubChem CID 43800957) has the molecular formula C9H8F4O2S and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone
PubChem CID43800957
Molecular FormulaC9H8F4O2S
Molecular Weight256.22 g/mol
Exact Mass256.02
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone
SMILESO=C(COCC(F)(F)C(F)F)c1cccs1
InChIInChI=1S/C9H8F4O2S/c10-8(11)9(12,13)5-15-4-6(14)7-2-1-3-16-7/h1-3,8H,4-5H2
InChIKeyWWJNFKCIPNALHO-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone (CID 43800957) is 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone is O=C(COCC(F)(F)C(F)F)c1cccs1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone?
The InChIKey is WWJNFKCIPNALHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2S/c10-8(11)9(12,13)5-15-4-6(14)7-2-1-3-16-7/h1-3,8H,4-5H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone?
2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone has a molecular weight of 256.22 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43800957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).