5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine

C11H11F2NO — CID 134922281

IUPAC5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCN1OC(=C(F)F)CC1c1ccccc1
InChIInChI=1S/C11H11F2NO/c1-14-9(7-10(15-14)11(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyBRFVMIXKAMUTSY-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.10
Rot. Bonds1

About 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine

5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine (PubChem CID 134922281) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
PubChem CID134922281
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCN1OC(=C(F)F)CC1c1ccccc1
InChIInChI=1S/C11H11F2NO/c1-14-9(7-10(15-14)11(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyBRFVMIXKAMUTSY-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
2-benzyl-3-propyl-5-(trifluoromethyl)-3H-1,2-oxazole
CID 102287811
2,2-Difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine
CID 162399988
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine (CID 134922281) is 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine is CN1OC(=C(F)F)CC1c1ccccc1.
What is the InChIKey of 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine?
The InChIKey is BRFVMIXKAMUTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-14-9(7-10(15-14)11(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine?
5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine has a molecular weight of 211.21 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 134922281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).