2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine

C13H11F2NO — CID 162399988

IUPAC2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine
SMILESFC1(F)ON2C=CC=CC2C1c1ccccc1
InChIInChI=1S/C13H11F2NO/c14-13(15)12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)17-13/h1-9,11-12H
InChIKeyIKNXMYWYSMCMBF-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.06
Rot. Bonds1

About 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine

2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine (PubChem CID 162399988) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine.

Molecular Properties

Compound Name2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine
PubChem CID162399988
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine
SMILESFC1(F)ON2C=CC=CC2C1c1ccccc1
InChIInChI=1S/C13H11F2NO/c14-13(15)12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)17-13/h1-9,11-12H
InChIKeyIKNXMYWYSMCMBF-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
(4R,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 102358799
(4S,5R)-4,5-difluoro-2-methyl-4-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 102358801
5,5-Difluoro-2-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1,2-oxazolidine
CID 102589068
3-(Cyclohexa-1,5-dien-1-ylmethyl)-2-methyl-4-phenyl-1,2-oxazolidine
CID 123951921

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine?
The IUPAC name of 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine (CID 162399988) is 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine.
What is the SMILES notation for 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine?
The canonical SMILES for 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine is FC1(F)ON2C=CC=CC2C1c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine?
The InChIKey is IKNXMYWYSMCMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-13(15)12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)17-13/h1-9,11-12H.
What are the key properties of 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine?
2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine has a molecular weight of 235.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine is sourced from PubChem (CID 162399988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).