1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol

C8H10ClF2NOS — CID 112575426

IUPAC1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
SMILESCc1nc(CC(O)C(F)(F)Cl)sc1C
InChIInChI=1S/C8H10ClF2NOS/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h6,13H,3H2,1-2H3
InChIKeyNCNJZLXWHLIWRB-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.49
Rot. Bonds3

About 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol

1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol (PubChem CID 112575426) has the molecular formula C8H10ClF2NOS and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
PubChem CID112575426
Molecular FormulaC8H10ClF2NOS
Molecular Weight241.69 g/mol
Exact Mass241.01
IUPAC Name1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
SMILESCc1nc(CC(O)C(F)(F)Cl)sc1C
InChIInChI=1S/C8H10ClF2NOS/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h6,13H,3H2,1-2H3
InChIKeyNCNJZLXWHLIWRB-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol (CID 112575426) is 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol is Cc1nc(CC(O)C(F)(F)Cl)sc1C.
What is the InChIKey of 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol?
The InChIKey is NCNJZLXWHLIWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NOS/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h6,13H,3H2,1-2H3.
What are the key properties of 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol?
1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol has a molecular weight of 241.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).