2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine

C21H21F2NO — CID 54340703

IUPAC2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(Cc2cccc3c2CCCC3)CCO1
InChIInChI=1S/C21H21F2NO/c22-18-9-4-10-19(23)20(18)21-24-16(11-12-25-21)13-15-7-3-6-14-5-1-2-8-17(14)15/h3-4,6-7,9-10,16H,1-2,5,8,11-13H2
InChIKeyTYSYLUYRQKCLGK-UHFFFAOYSA-N
MW341.40 g/mol
LogP4.62
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine

2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54340703) has the molecular formula C21H21F2NO and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54340703
Molecular FormulaC21H21F2NO
Molecular Weight341.40 g/mol
Exact Mass341.16
IUPAC Name2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(Cc2cccc3c2CCCC3)CCO1
InChIInChI=1S/C21H21F2NO/c22-18-9-4-10-19(23)20(18)21-24-16(11-12-25-21)13-15-7-3-6-14-5-1-2-8-17(14)15/h3-4,6-7,9-10,16H,1-2,5,8,11-13H2
InChIKeyTYSYLUYRQKCLGK-UHFFFAOYSA-N
XLogP4.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-Difluorophenyl)-4-(2-methyl-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008036
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
CID 134954194
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
CID 135065057
4-(3,5-Bis(trifluoromethyl)phenyl)-2-(naphthalen-1-yl)-4,5-dihydrooxazole
CID 146025891
(4aS,10bR)-4a-fluoro-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 154714290
2-(2,6-Difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 164666820
(4aS,10bR)-4a-fluoro-10-methyl-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 176438720
(5S,6S)-6-fluoro-5-phenyl-2-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 178252043
(5S,6S)-6-fluoro-2,5-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 178252044
2-(2,6-Difluorophenyl)-4-(3,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76316003
2-(2,6-Difluorophenyl)-4-(3-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76316023
2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76323365

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine (CID 54340703) is 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(F)c1C1=NC(Cc2cccc3c2CCCC3)CCO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is TYSYLUYRQKCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO/c22-18-9-4-10-19(23)20(18)21-24-16(11-12-25-21)13-15-7-3-6-14-5-1-2-8-17(14)15/h3-4,6-7,9-10,16H,1-2,5,8,11-13H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2,6-difluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 341.40 g/mol, XLogP of 4.62, 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)-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54340703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).