2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol

C9H7F2NO2 — CID 116841174

IUPAC2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc2ncoc2c1
InChIInChI=1S/C9H7F2NO2/c10-9(11,4-13)6-1-2-7-8(3-6)14-5-12-7/h1-3,5,13H,4H2
InChIKeySTSLBEKXTJGCOT-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.91
Rot. Bonds2

About 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol

2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol (PubChem CID 116841174) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol
PubChem CID116841174
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc2ncoc2c1
InChIInChI=1S/C9H7F2NO2/c10-9(11,4-13)6-1-2-7-8(3-6)14-5-12-7/h1-3,5,13H,4H2
InChIKeySTSLBEKXTJGCOT-UHFFFAOYSA-N
XLogP1.91
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole
CID 116841453
2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol
CID 115216559
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoroethanone
CID 116836453
1,3-benzoxazole-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 138543085
3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116841072
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
1,3-benzoxazol-6-amine
CID 584120
1,3-benzoxazol-6-ylmethanamine
CID 55219292
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
6-ethylsulfanyl-1,3-benzoxazole
CID 91527508

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol (CID 116841174) is 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol is OCC(F)(F)c1ccc2ncoc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol?
The InChIKey is STSLBEKXTJGCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-9(11,4-13)6-1-2-7-8(3-6)14-5-12-7/h1-3,5,13H,4H2.
What are the key properties of 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol?
2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol has a molecular weight of 199.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol is sourced from PubChem (CID 116841174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).