2-(difluoromethyl)-4-ethyl-1,3-benzoxazole

C10H9F2NO — CID 118854235

IUPAC2-(difluoromethyl)-4-ethyl-1,3-benzoxazole
SMILESCCc1cccc2oc(C(F)F)nc12
InChIInChI=1S/C10H9F2NO/c1-2-6-4-3-5-7-8(6)13-10(14-7)9(11)12/h3-5,9H,2H2,1H3
InChIKeyDLWSKSIOZUEWHG-UHFFFAOYSA-N
MW197.18 g/mol
LogP3.33
Rot. Bonds2

About 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole

2-(difluoromethyl)-4-ethyl-1,3-benzoxazole (PubChem CID 118854235) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4-ethyl-1,3-benzoxazole
PubChem CID118854235
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(difluoromethyl)-4-ethyl-1,3-benzoxazole
SMILESCCc1cccc2oc(C(F)F)nc12
InChIInChI=1S/C10H9F2NO/c1-2-6-4-3-5-7-8(6)13-10(14-7)9(11)12/h3-5,9H,2H2,1H3
InChIKeyDLWSKSIOZUEWHG-UHFFFAOYSA-N
XLogP3.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole?
The IUPAC name of 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole (CID 118854235) is 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole?
The canonical SMILES for 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole is CCc1cccc2oc(C(F)F)nc12.
What is the InChIKey of 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole?
The InChIKey is DLWSKSIOZUEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-2-6-4-3-5-7-8(6)13-10(14-7)9(11)12/h3-5,9H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole?
2-(difluoromethyl)-4-ethyl-1,3-benzoxazole has a molecular weight of 197.18 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-ethyl-1,3-benzoxazole is sourced from PubChem (CID 118854235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).