2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol

C9H11F2NOS — CID 164652164

IUPAC2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol
SMILESCC1(CC(O)c2ccns2)CC1(F)F
InChIInChI=1S/C9H11F2NOS/c1-8(5-9(8,10)11)4-6(13)7-2-3-12-14-7/h2-3,6,13H,4-5H2,1H3
InChIKeyZEHIBABJUDTPAC-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.61
Rot. Bonds3

About 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol

2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol (PubChem CID 164652164) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol
PubChem CID164652164
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol
SMILESCC1(CC(O)c2ccns2)CC1(F)F
InChIInChI=1S/C9H11F2NOS/c1-8(5-9(8,10)11)4-6(13)7-2-3-12-14-7/h2-3,6,13H,4-5H2,1H3
InChIKeyZEHIBABJUDTPAC-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
4,4-Difluoro-1-[(1,2-thiazol-5-yl)methyl]cyclohex-2-en-1-ol
CID 165497805
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
2,2-Dimethyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130856978
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
(2,2-Dimethylcyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130871296
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130900775
(3-Methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
CID 130914162
3,3-Dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130914175

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol (CID 164652164) is 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol is CC1(CC(O)c2ccns2)CC1(F)F.
What is the InChIKey of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol?
The InChIKey is ZEHIBABJUDTPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-8(5-9(8,10)11)4-6(13)7-2-3-12-14-7/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol?
2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol has a molecular weight of 219.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 164652164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).