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

C6H7F2NOS — CID 80605598

IUPAC1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(O)(c1nccs1)C(F)F
InChIInChI=1S/C6H7F2NOS/c1-6(10,4(7)8)5-9-2-3-11-5/h2-4,10H,1H3
InChIKeyWIZFQGGDSHNJFW-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.62
Rot. Bonds2

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

1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 80605598) has the molecular formula C6H7F2NOS and a molecular weight of 179.19 g/mol. Its IUPAC name is 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID80605598
Molecular FormulaC6H7F2NOS
Molecular Weight179.19 g/mol
Exact Mass179.02
IUPAC Name1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(O)(c1nccs1)C(F)F
InChIInChI=1S/C6H7F2NOS/c1-6(10,4(7)8)5-9-2-3-11-5/h2-4,10H,1H3
InChIKeyWIZFQGGDSHNJFW-UHFFFAOYSA-N
XLogP1.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
CID 129269629
1-amino-2-(1,3-thiazol-2-yl)propan-2-ol
CID 45121741
(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
CID 95850481
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
CID 91318446

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol (CID 80605598) is 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol is CC(O)(c1nccs1)C(F)F.
What is the InChIKey of 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is WIZFQGGDSHNJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NOS/c1-6(10,4(7)8)5-9-2-3-11-5/h2-4,10H,1H3.
What are the key properties of 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol?
1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 179.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 80605598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).