2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile

C11H9F2NO — CID 116873253

IUPAC2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
SMILESN#CCC1(c2cc(F)ccc2F)COC1
InChIInChI=1S/C11H9F2NO/c12-8-1-2-10(13)9(5-8)11(3-4-14)6-15-7-11/h1-2,5H,3,6-7H2
InChIKeyKHCOOFPRGXSUBR-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.15
Rot. Bonds2

About 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile

2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile (PubChem CID 116873253) has the molecular formula C11H9F2NO and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
PubChem CID116873253
Molecular FormulaC11H9F2NO
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
SMILESN#CCC1(c2cc(F)ccc2F)COC1
InChIInChI=1S/C11H9F2NO/c12-8-1-2-10(13)9(5-8)11(3-4-14)6-15-7-11/h1-2,5H,3,6-7H2
InChIKeyKHCOOFPRGXSUBR-UHFFFAOYSA-N
XLogP2.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile?
The IUPAC name of 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile (CID 116873253) is 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile is N#CCC1(c2cc(F)ccc2F)COC1.
What is the InChIKey of 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile?
The InChIKey is KHCOOFPRGXSUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-8-1-2-10(13)9(5-8)11(3-4-14)6-15-7-11/h1-2,5H,3,6-7H2.
What are the key properties of 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile?
2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile has a molecular weight of 209.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile is sourced from PubChem (CID 116873253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).