1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol

C8H9F2NOS — CID 84778358

IUPAC1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
SMILESCC(F)(F)c1ncc(C2(O)CC2)s1
InChIInChI=1S/C8H9F2NOS/c1-7(9,10)6-11-4-5(13-6)8(12)2-3-8/h4,12H,2-3H2,1H3
InChIKeyYEOWOHGIRSFKMW-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.24
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol

1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol (PubChem CID 84778358) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
PubChem CID84778358
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
SMILESCC(F)(F)c1ncc(C2(O)CC2)s1
InChIInChI=1S/C8H9F2NOS/c1-7(9,10)6-11-4-5(13-6)8(12)2-3-8/h4,12H,2-3H2,1H3
InChIKeyYEOWOHGIRSFKMW-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol
CID 22106694
1,1,1-Trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
CID 58973043
1,1,1-Trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
CID 71052761
1,1,1-Trifluoro-2-[2-(2-methylpropylsulfanyl)-1,3-thiazol-5-yl]butan-2-ol
CID 71167285
2-(2-Ethylsulfanyl-1,3-thiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 71168196
1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-5-yl)propan-2-ol
CID 91107423
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782106
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 137444302
(2R)-1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103127
1,1,1-Trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103136
1,1,1-Trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103138
Ethane;1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
CID 145510803

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol (CID 84778358) is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol is CC(F)(F)c1ncc(C2(O)CC2)s1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
The InChIKey is YEOWOHGIRSFKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c1-7(9,10)6-11-4-5(13-6)8(12)2-3-8/h4,12H,2-3H2,1H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol has a molecular weight of 205.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 84778358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).