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

C8H7F2NOS — CID 130905765

IUPAC(3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CC(F)(F)C1
InChIInChI=1S/C8H7F2NOS/c9-8(10)1-5(2-8)7(12)6-3-13-4-11-6/h3-5H,1-2H2
InChIKeyJLFKSVIIQYXZGT-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.37
Rot. Bonds2

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

(3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone (PubChem CID 130905765) has the molecular formula C8H7F2NOS and a molecular weight of 203.21 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone
PubChem CID130905765
Molecular FormulaC8H7F2NOS
Molecular Weight203.21 g/mol
Exact Mass203.02
IUPAC Name(3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CC(F)(F)C1
InChIInChI=1S/C8H7F2NOS/c9-8(10)1-5(2-8)7(12)6-3-13-4-11-6/h3-5H,1-2H2
InChIKeyJLFKSVIIQYXZGT-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butan-1-one
CID 80490766
5,5,5-Trifluoro-1-(1,3-thiazol-4-yl)pentan-1-one
CID 115516001
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butane-1,3-dione
CID 116202085
4,4-Difluoro-1-(1,3-thiazol-4-yl)butane-1,3-dione
CID 116202089
1-(1,3-Thiazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130564747
2,2,3,3-Tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one
CID 130610107
2,2-Difluoro-1-(1,3-thiazol-4-yl)propan-1-one
CID 130657723
2,2,3,3,3-Pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one
CID 130688334
(3,3-Difluorocyclohexyl)-(1,3-thiazol-4-yl)methanone
CID 130729567
(3,3-Difluorocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130909583
(3,3-Difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone
CID 130948500

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone (CID 130905765) is (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is JLFKSVIIQYXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NOS/c9-8(10)1-5(2-8)7(12)6-3-13-4-11-6/h3-5H,1-2H2.
What are the key properties of (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone?
(3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 203.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130905765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).