(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine

C18H16FNO — CID 139187280

IUPAC(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine
SMILESCC1=CC(c2ccccc2)=N[C@@](CF)(c2ccccc2)O1
InChIInChI=1S/C18H16FNO/c1-14-12-17(15-8-4-2-5-9-15)20-18(13-19,21-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/t18-/m1/s1
InChIKeyKUFFCPKTHSSTCR-GOSISDBHSA-N
MW281.33 g/mol
LogP4.23
Rot. Bonds3

About (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine

(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine (PubChem CID 139187280) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine
PubChem CID139187280
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine
SMILESCC1=CC(c2ccccc2)=N[C@@](CF)(c2ccccc2)O1
InChIInChI=1S/C18H16FNO/c1-14-12-17(15-8-4-2-5-9-15)20-18(13-19,21-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/t18-/m1/s1
InChIKeyKUFFCPKTHSSTCR-GOSISDBHSA-N
XLogP4.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
4-Ethyl-4-fluoro-2-phenyl-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851476
4-Ethyl-4-fluoro-2-(4-methylphenyl)-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851478
4-Ethyl-4-fluoro-2-(4-fluorophenyl)-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851480
6-Benzyl-6-fluoro-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851487
6-Fluoro-6-[(4-methylphenyl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851489
4-Fluoro-2-phenyl-4-propyl-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851493
4-Fluoro-2-phenyl-4-propan-2-yl-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851494
4-Dodecyl-4-fluoro-2-phenyl-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851496
4-Dodecan-2-yl-4-fluoro-2-phenyl-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851497
2,6-Diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine
CID 13048285
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine?
The IUPAC name of (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine (CID 139187280) is (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine?
The canonical SMILES for (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine is CC1=CC(c2ccccc2)=N[C@@](CF)(c2ccccc2)O1.
What is the InChIKey of (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine?
The InChIKey is KUFFCPKTHSSTCR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FNO/c1-14-12-17(15-8-4-2-5-9-15)20-18(13-19,21-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine?
(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine has a molecular weight of 281.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine is sourced from PubChem (CID 139187280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).