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

C8H4F3NO2 — CID 118823794

IUPAC4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
SMILESFc1nc2c(OC(F)F)cccc2o1
InChIInChI=1S/C8H4F3NO2/c9-7(10)13-4-2-1-3-5-6(4)12-8(11)14-5/h1-3,7H
InChIKeyKKEBUULIKIBPNU-UHFFFAOYSA-N
MW203.12 g/mol
LogP2.57
Rot. Bonds2

About 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole

4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole (PubChem CID 118823794) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
PubChem CID118823794
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
SMILESFc1nc2c(OC(F)F)cccc2o1
InChIInChI=1S/C8H4F3NO2/c9-7(10)13-4-2-1-3-5-6(4)12-8(11)14-5/h1-3,7H
InChIKeyKKEBUULIKIBPNU-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

2,4-bis(difluoromethoxy)-1,3-benzoxazole
CID 119004569
4-(difluoromethoxy)-1,3-benzoxazole-2-carboxylic acid
CID 118846827
2-fluoro-1,3-benzoxazole-4-carbonitrile
CID 118816361
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
CID 118817486
2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
CID 118996479
2,3-bis(difluoromethoxy)naphthalene
CID 119020355
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
3-(difluoromethoxy)-2-fluoropyridine
CID 74892042
4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
CID 118807347
2-chloro-5-[2-(difluoromethoxy)phenyl]-1,3-oxazole
CID 71227332
1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 118992474

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole (CID 118823794) is 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole is Fc1nc2c(OC(F)F)cccc2o1.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole?
The InChIKey is KKEBUULIKIBPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-7(10)13-4-2-1-3-5-6(4)12-8(11)14-5/h1-3,7H.
What are the key properties of 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole?
4-(difluoromethoxy)-2-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 4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole is sourced from PubChem (CID 118823794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).