2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one

C7H3F5OS — CID 103749127

IUPAC2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
SMILESO=C(c1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5OS/c8-6(9,7(10,11)12)5(13)4-2-1-3-14-4/h1-3H
InChIKeyPQZWHLYOCMYANF-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.13
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one

2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one (PubChem CID 103749127) has the molecular formula C7H3F5OS and a molecular weight of 230.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
PubChem CID103749127
Molecular FormulaC7H3F5OS
Molecular Weight230.16 g/mol
Exact Mass229.98
IUPAC Name2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
SMILESO=C(c1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5OS/c8-6(9,7(10,11)12)5(13)4-2-1-3-14-4/h1-3H
InChIKeyPQZWHLYOCMYANF-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132
4,4,4-trifluoro-3-hydroxy-3-methyl-1-thiophen-2-ylbutan-1-one
CID 10922579
[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone
CID 91926726
2-chloro-2-ethyl-1-thiophen-2-ylbutan-1-one
CID 45081139
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoic acid
CID 57367558
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
sodium thiophene-2-carboxylate
CID 23672340
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
CID 5488991

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one (CID 103749127) is 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one is O=C(c1cccs1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one?
The InChIKey is PQZWHLYOCMYANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5OS/c8-6(9,7(10,11)12)5(13)4-2-1-3-14-4/h1-3H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one?
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one has a molecular weight of 230.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 103749127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).