[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol

C6H7F2NO2 — CID 67127967

IUPAC[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol
SMILESCC(F)(F)c1nc(CO)co1
InChIInChI=1S/C6H7F2NO2/c1-6(7,8)5-9-4(2-10)3-11-5/h3,10H,2H2,1H3
InChIKeyIQWNJTNPRZWVBY-UHFFFAOYSA-N
MW163.12 g/mol
LogP1.28
Rot. Bonds2

About [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol

[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol (PubChem CID 67127967) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol
PubChem CID67127967
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol
SMILESCC(F)(F)c1nc(CO)co1
InChIInChI=1S/C6H7F2NO2/c1-6(7,8)5-9-4(2-10)3-11-5/h3,10H,2H2,1H3
InChIKeyIQWNJTNPRZWVBY-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
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
(2-Bromo-1,3-oxazol-4-yl)methanol
CID 37818706
(2-Cyclopropyl-1,3-oxazol-4-yl)methanol
CID 53399651
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 67424422
2-(Difluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 84764553
(2-Tert-butyl-1,3-oxazol-4-yl)methanol
CID 112756401
4-Methyl-2-(trifluoromethyl)-1,3-oxazole
CID 23568446
2-(Fluoromethyl)oxazole-4-carboxylic acid
CID 57475884
2-(3,3,3-Trifluoropropyl)oxazole-4-carboxylic acid
CID 65713433
2,2,2-Trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanol
CID 67780165
[2-((R)-1-amino-ethyl)-oxazol-4-yl]-methanol trifluoroacetate
CID 71280113

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol (CID 67127967) is [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol is CC(F)(F)c1nc(CO)co1.
What is the InChIKey of [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is IQWNJTNPRZWVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c1-6(7,8)5-9-4(2-10)3-11-5/h3,10H,2H2,1H3.
What are the key properties of [2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol?
[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol 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-(1,1-difluoroethyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 67127967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).