1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol

C6H6ClF2NOS — CID 112575169

IUPAC1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nccs1)C(F)(F)Cl
InChIInChI=1S/C6H6ClF2NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2,4,11H,3H2
InChIKeyXWUDSODWBPQIOH-UHFFFAOYSA-N
MW213.64 g/mol
LogP1.88
Rot. Bonds3

About 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol

1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 112575169) has the molecular formula C6H6ClF2NOS and a molecular weight of 213.64 g/mol. Its IUPAC name is 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID112575169
Molecular FormulaC6H6ClF2NOS
Molecular Weight213.64 g/mol
Exact Mass212.98
IUPAC Name1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(Cc1nccs1)C(F)(F)Cl
InChIInChI=1S/C6H6ClF2NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2,4,11H,3H2
InChIKeyXWUDSODWBPQIOH-UHFFFAOYSA-N
XLogP1.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824785
1-chloro-3-(3-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
CID 130534535
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
CID 102562642
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
1-(3,5-difluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823901
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol (CID 112575169) is 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol is OC(Cc1nccs1)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is XWUDSODWBPQIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2,4,11H,3H2.
What are the key properties of 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol?
1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 213.64 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoro-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 112575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).