2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole

C8H9F2NOS — CID 126954013

IUPAC2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole
SMILESFC1(F)CC(COc2nccs2)C1
InChIInChI=1S/C8H9F2NOS/c9-8(10)3-6(4-8)5-12-7-11-1-2-13-7/h1-2,6H,3-5H2
InChIKeyKFIBUJCIPGZWLU-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.57
Rot. Bonds3

About 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole

2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole (PubChem CID 126954013) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole
PubChem CID126954013
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole
SMILESFC1(F)CC(COc2nccs2)C1
InChIInChI=1S/C8H9F2NOS/c9-8(10)3-6(4-8)5-12-7-11-1-2-13-7/h1-2,6H,3-5H2
InChIKeyKFIBUJCIPGZWLU-UHFFFAOYSA-N
XLogP2.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole (CID 126954013) is 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole is FC1(F)CC(COc2nccs2)C1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole?
The InChIKey is KFIBUJCIPGZWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c9-8(10)3-6(4-8)5-12-7-11-1-2-13-7/h1-2,6H,3-5H2.
What are the key properties of 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole?
2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole has a molecular weight of 205.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole is sourced from PubChem (CID 126954013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).