[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol

C9H7F2NO3 — CID 131625826

IUPAC[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol
SMILESOCc1nc2cc(OC(F)F)ccc2o1
InChIInChI=1S/C9H7F2NO3/c10-9(11)14-5-1-2-7-6(3-5)12-8(4-13)15-7/h1-3,9,13H,4H2
InChIKeyOTTFEBZRBQWAOQ-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.92
Rot. Bonds3

About [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol

[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol (PubChem CID 131625826) has the molecular formula C9H7F2NO3 and a molecular weight of 215.16 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol
PubChem CID131625826
Molecular FormulaC9H7F2NO3
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol
SMILESOCc1nc2cc(OC(F)F)ccc2o1
InChIInChI=1S/C9H7F2NO3/c10-9(11)14-5-1-2-7-6(3-5)12-8(4-13)15-7/h1-3,9,13H,4H2
InChIKeyOTTFEBZRBQWAOQ-UHFFFAOYSA-N
XLogP1.92
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(difluoromethoxy)-1,3-benzoxazole
CID 118995591
2-bromo-5-(difluoromethoxy)-1,3-benzoxazole
CID 119024290
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
2-chloro-1-[2-(hydroxymethyl)-1,3-benzoxazol-5-yl]ethanone
CID 131319789
2-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]-2-methylpropanoic acid
CID 117098174
5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468058
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
(6-bromo-1,3-benzoxazol-2-yl)methanol
CID 119031268
2-bromo-1-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 170837803
2-(bromomethyl)-5-butoxy-1,3-benzoxazole
CID 89057547

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol?
The IUPAC name of [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol (CID 131625826) is [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol.
What is the SMILES notation for [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol?
The canonical SMILES for [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol is OCc1nc2cc(OC(F)F)ccc2o1.
What is the InChIKey of [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol?
The InChIKey is OTTFEBZRBQWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO3/c10-9(11)14-5-1-2-7-6(3-5)12-8(4-13)15-7/h1-3,9,13H,4H2.
What are the key properties of [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol?
[5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol has a molecular weight of 215.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1,3-benzoxazol-2-yl]methanol is sourced from PubChem (CID 131625826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).