2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine

C14H17F2NO — CID 54083909

IUPAC2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine
SMILESCCC1(CC)CN=C(c2c(F)cccc2F)OC1
InChIInChI=1S/C14H17F2NO/c1-3-14(4-2)8-17-13(18-9-14)12-10(15)6-5-7-11(12)16/h5-7H,3-4,8-9H2,1-2H3
InChIKeyMPBCKKPCKWEKTA-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine

2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine (PubChem CID 54083909) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine
PubChem CID54083909
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine
SMILESCCC1(CC)CN=C(c2c(F)cccc2F)OC1
InChIInChI=1S/C14H17F2NO/c1-3-14(4-2)8-17-13(18-9-14)12-10(15)6-5-7-11(12)16/h5-7H,3-4,8-9H2,1-2H3
InChIKeyMPBCKKPCKWEKTA-UHFFFAOYSA-N
XLogP3.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine
CID 569306
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-Phenyl-4,5,6,7-tetrahydro-1,3-oxazepine
CID 25213916
2-(3,4,5-Trifluorophenyl)-4,5-dihydrooxazole
CID 102025471
2-(4-hexylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 137642568
Ethyl 4-fluorobenzimidate
CID 182693
2-(2,6-Difluorophenyl)-2-oxazoline
CID 11426186
Ethyl 3-fluorobenzimidate
CID 12282164
2-Fluoro-benzimidic acid ethyl ester
CID 12282166
2-(2-Fluorophenyl)-4,4-dimethyl-2-oxazoline
CID 10888794

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine (CID 54083909) is 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine is CCC1(CC)CN=C(c2c(F)cccc2F)OC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine?
The InChIKey is MPBCKKPCKWEKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-3-14(4-2)8-17-13(18-9-14)12-10(15)6-5-7-11(12)16/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine?
2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine has a molecular weight of 253.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine is sourced from PubChem (CID 54083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).