(3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone

C9H9F2NO2S — CID 130948600

IUPAC(3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone
SMILESCOc1nc(C(=O)C2CC(F)(F)C2)cs1
InChIInChI=1S/C9H9F2NO2S/c1-14-8-12-6(4-15-8)7(13)5-2-9(10,11)3-5/h4-5H,2-3H2,1H3
InChIKeyOTWMSNCAARYUEC-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.38
Rot. Bonds3

About (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone

(3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone (PubChem CID 130948600) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone
PubChem CID130948600
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC Name(3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone
SMILESCOc1nc(C(=O)C2CC(F)(F)C2)cs1
InChIInChI=1S/C9H9F2NO2S/c1-14-8-12-6(4-15-8)7(13)5-2-9(10,11)3-5/h4-5H,2-3H2,1H3
InChIKeyOTWMSNCAARYUEC-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]butan-1-one
CID 70665471
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
CID 130328564
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
2-Butyl-1-(2-fluoro-1,3-thiazol-4-yl)-2-methylnonan-1-one
CID 146632982
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
(2-Bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 166045451
2-Methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-one
CID 91571440
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 105106853
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-one
CID 105123358
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202050
4,4-Difluoro-1-(2-methyl-1,3-thiazol-4-yl)butane-1,3-dione
CID 116202054

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone (CID 130948600) is (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone is COc1nc(C(=O)C2CC(F)(F)C2)cs1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone?
The InChIKey is OTWMSNCAARYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c1-14-8-12-6(4-15-8)7(13)5-2-9(10,11)3-5/h4-5H,2-3H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone?
(3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone has a molecular weight of 233.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(2-methoxy-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130948600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).