1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one

C10H13FOS — CID 130642481

IUPAC1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)c1sccc1F
InChIInChI=1S/C10H13FOS/c1-6(2)7(3)9(12)10-8(11)4-5-13-10/h4-7H,1-3H3
InChIKeyLIKZJNGBBZDPSY-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one

1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one (PubChem CID 130642481) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one
PubChem CID130642481
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)c1sccc1F
InChIInChI=1S/C10H13FOS/c1-6(2)7(3)9(12)10-8(11)4-5-13-10/h4-7H,1-3H3
InChIKeyLIKZJNGBBZDPSY-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-fluorothiophene-2-carboxylic acid
CID 142472741
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
CID 130594260
1-(3-anilinothiophen-2-yl)-2,3-dimethylbutan-1-one
CID 16640249
1-(3-fluorothiophen-2-yl)butane-1,3-dione
CID 174590149
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
N-but-2-ynyl-3-fluorothiophene-2-carboxamide
CID 131047851
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
2-(hydroxymethyl)-3-methyl-1-(3-methylthiophen-2-yl)butan-1-one
CID 116923381
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
CID 96896773
2-hydroxy-3,3-dimethyl-1-(3-methylthiophen-2-yl)butan-1-one
CID 103456225
1-(3-bromothiophen-2-yl)-2-methoxy-3-methylbutan-1-one
CID 116708553
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
CID 16773737

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one (CID 130642481) is 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one is CC(C)C(C)C(=O)c1sccc1F.
What is the InChIKey of 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one?
The InChIKey is LIKZJNGBBZDPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-6(2)7(3)9(12)10-8(11)4-5-13-10/h4-7H,1-3H3.
What are the key properties of 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one?
1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one is sourced from PubChem (CID 130642481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).