(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine

C14H16F3NO2 — CID 10708404

IUPAC(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCO[C@@](C1=NCC[C@H](C)O1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-10-8-9-18-12(20-10)13(19-2,14(15,16)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyWWMZVUJCYHKBQV-GXFFZTMASA-N
MW287.28 g/mol
LogP3.30
Rot. Bonds3

About (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine

(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 10708404) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID10708404
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCO[C@@](C1=NCC[C@H](C)O1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-10-8-9-18-12(20-10)13(19-2,14(15,16)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyWWMZVUJCYHKBQV-GXFFZTMASA-N
XLogP3.30
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714049
(5S)-5-fluoro-5-methyl-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714281
Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate
CID 10538427
(6R)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
CID 10850828
2-Phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
CID 15363395
3-Ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
CID 15363396
2-(2,6-Difluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-oxazine
CID 54083909
(5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine
CID 70873333
2-[5-(1,1-difluoropropyl)cyclohexa-2,4-dien-1-yl]-2-hydroxy-N'-(3-phenylmethoxypropyl)propanimidamide
CID 123388163
[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate
CID 123928943

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine (CID 10708404) is (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine is CO[C@@](C1=NCC[C@H](C)O1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is WWMZVUJCYHKBQV-GXFFZTMASA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-10-8-9-18-12(20-10)13(19-2,14(15,16)17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine?
(6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 287.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 10708404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).