2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole

C8H4F3NO2 — CID 118803478

IUPAC2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
SMILESFc1cccc2nc(OC(F)F)oc12
InChIInChI=1S/C8H4F3NO2/c9-4-2-1-3-5-6(4)13-8(12-5)14-7(10)11/h1-3,7H
InChIKeyHAGJFUXDUJBDGG-UHFFFAOYSA-N
MW203.12 g/mol
LogP2.57
Rot. Bonds2

About 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole

2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole (PubChem CID 118803478) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
PubChem CID118803478
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
SMILESFc1cccc2nc(OC(F)F)oc12
InChIInChI=1S/C8H4F3NO2/c9-4-2-1-3-5-6(4)13-8(12-5)14-7(10)11/h1-3,7H
InChIKeyHAGJFUXDUJBDGG-UHFFFAOYSA-N
XLogP2.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole
CID 9228
2-Methylbenzoxazole
CID 7225
2-Chlorobenzoxazole
CID 11986
2-Aminobenzoxazole
CID 20707
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
Benzoxazole, 2-ethyl-
CID 23239
Benzoxazole, 2-amino-5-fluoro-
CID 15516
1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
2-(Methylthio)benzoxazole
CID 4178773
1,3-Benzoxazole-2-carbonitrile
CID 11147793
2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile
CID 2819294
2-({2-[(2-Fluorophenyl)oxy]ethyl}sulfanyl)-1,3-benzoxazole
CID 2256886

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole (CID 118803478) is 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole is Fc1cccc2nc(OC(F)F)oc12.
What is the InChIKey of 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole?
The InChIKey is HAGJFUXDUJBDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-4-2-1-3-5-6(4)13-8(12-5)14-7(10)11/h1-3,7H.
What are the key properties of 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole?
2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole has a molecular weight of 203.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole is sourced from PubChem (CID 118803478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).