3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine

C11H13F2NO — CID 174945568

IUPAC3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine
SMILESCCC1(c2c(F)cccc2F)CCON1
InChIInChI=1S/C11H13F2NO/c1-2-11(6-7-15-14-11)10-8(12)4-3-5-9(10)13/h3-5,14H,2,6-7H2,1H3
InChIKeyFTHDNPYAIUIXMZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.49
Rot. Bonds2

About 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine

3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine (PubChem CID 174945568) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine
PubChem CID174945568
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine
SMILESCCC1(c2c(F)cccc2F)CCON1
InChIInChI=1S/C11H13F2NO/c1-2-11(6-7-15-14-11)10-8(12)4-3-5-9(10)13/h3-5,14H,2,6-7H2,1H3
InChIKeyFTHDNPYAIUIXMZ-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine?
The IUPAC name of 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine (CID 174945568) is 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine?
The canonical SMILES for 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine is CCC1(c2c(F)cccc2F)CCON1.
What is the InChIKey of 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine?
The InChIKey is FTHDNPYAIUIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-2-11(6-7-15-14-11)10-8(12)4-3-5-9(10)13/h3-5,14H,2,6-7H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine?
3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine has a molecular weight of 213.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-3-ethyl-1,2-oxazolidine is sourced from PubChem (CID 174945568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).