carbonyl difluoride;2-phenyl-1,3-benzoxazole

C14H9F2NO2 — CID 158063385

IUPACcarbonyl difluoride;2-phenyl-1,3-benzoxazole
SMILESO=C(F)F.c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H9NO.CF2O/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2-1(3)4/h1-9H;
InChIKeyFKXSYLVRMHCUML-UHFFFAOYSA-N
MW261.23 g/mol
LogP4.54
Rot. Bonds1

About carbonyl difluoride;2-phenyl-1,3-benzoxazole

carbonyl difluoride;2-phenyl-1,3-benzoxazole (PubChem CID 158063385) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is carbonyl difluoride;2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Namecarbonyl difluoride;2-phenyl-1,3-benzoxazole
PubChem CID158063385
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Namecarbonyl difluoride;2-phenyl-1,3-benzoxazole
SMILESO=C(F)F.c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H9NO.CF2O/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2-1(3)4/h1-9H;
InChIKeyFKXSYLVRMHCUML-UHFFFAOYSA-N
XLogP4.54
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
3-(1,3-benzoxazol-2-yl)benzoic acid;carbon dioxide
CID 158023892
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
CID 70478884

Frequently Asked Questions

What is the IUPAC name of carbonyl difluoride;2-phenyl-1,3-benzoxazole?
The IUPAC name of carbonyl difluoride;2-phenyl-1,3-benzoxazole (CID 158063385) is carbonyl difluoride;2-phenyl-1,3-benzoxazole.
What is the SMILES notation for carbonyl difluoride;2-phenyl-1,3-benzoxazole?
The canonical SMILES for carbonyl difluoride;2-phenyl-1,3-benzoxazole is O=C(F)F.c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of carbonyl difluoride;2-phenyl-1,3-benzoxazole?
The InChIKey is FKXSYLVRMHCUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.CF2O/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2-1(3)4/h1-9H;.
What are the key properties of carbonyl difluoride;2-phenyl-1,3-benzoxazole?
carbonyl difluoride;2-phenyl-1,3-benzoxazole has a molecular weight of 261.23 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl difluoride;2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 158063385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).