1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one

C13H11FOS — CID 62622073

IUPAC1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccsc1
InChIInChI=1S/C13H11FOS/c14-12-3-1-10(2-4-12)7-13(15)8-11-5-6-16-9-11/h1-6,9H,7-8H2
InChIKeyBUYKDTHRBFALOB-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one

1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one (PubChem CID 62622073) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
PubChem CID62622073
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccsc1
InChIInChI=1S/C13H11FOS/c14-12-3-1-10(2-4-12)7-13(15)8-11-5-6-16-9-11/h1-6,9H,7-8H2
InChIKeyBUYKDTHRBFALOB-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 105082505
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
CID 14399209
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
1-thiophen-3-ylhex-5-en-2-one
CID 105104599
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one (CID 62622073) is 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccc(F)cc1)Cc1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is BUYKDTHRBFALOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c14-12-3-1-10(2-4-12)7-13(15)8-11-5-6-16-9-11/h1-6,9H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one?
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 234.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 62622073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).