2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol

C6H7F2NO2 — CID 131498318

IUPAC2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
SMILESCc1nc(C(O)C(F)F)co1
InChIInChI=1S/C6H7F2NO2/c1-3-9-4(2-11-3)5(10)6(7)8/h2,5-6,10H,1H3
InChIKeyBVSDSCRHIRIPAI-UHFFFAOYSA-N
MW163.12 g/mol
LogP1.28
Rot. Bonds2

About 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol

2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol (PubChem CID 131498318) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
PubChem CID131498318
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
SMILESCc1nc(C(O)C(F)F)co1
InChIInChI=1S/C6H7F2NO2/c1-3-9-4(2-11-3)5(10)6(7)8/h2,5-6,10H,1H3
InChIKeyBVSDSCRHIRIPAI-UHFFFAOYSA-N
XLogP1.28
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-1,3-oxazol-4-yl)methanol
CID 5324810
1-(1,3-Oxazol-4-yl)ethan-1-ol
CID 17813802
(2-Tert-butyl-1,3-oxazol-4-yl)methanol
CID 112756401
(1R)-1-(1,3-oxazol-4-yl)ethan-1-ol
CID 130351725
4-Ethyl-2-(trifluoromethyl)-1,3-oxazole
CID 57674883
(2-(1,1-Difluoroethyl)oxazol-4-yl)methanol
CID 67127967
2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
CID 118298960
[2-(Fluoromethyl)-1,3-oxazol-4-yl]methanol
CID 122423770
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 122677791
1,1,1-Trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol
CID 122677819
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethane-1,1-diol
CID 122677820
(1S)-1-(1,3-oxazol-4-yl)ethanol
CID 130351873

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol (CID 131498318) is 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol is Cc1nc(C(O)C(F)F)co1.
What is the InChIKey of 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
The InChIKey is BVSDSCRHIRIPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c1-3-9-4(2-11-3)5(10)6(7)8/h2,5-6,10H,1H3.
What are the key properties of 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol?
2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol has a molecular weight of 163.12 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol is sourced from PubChem (CID 131498318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).