(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine

C11H10F4N2O — CID 71092927

IUPAC(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine
SMILESNC1=NCC(F)(F)[C@@](CF)(c2ccccc2F)O1
InChIInChI=1S/C11H10F4N2O/c12-5-10(7-3-1-2-4-8(7)13)11(14,15)6-17-9(16)18-10/h1-4H,5-6H2,(H2,16,17)/t10-/m1/s1
InChIKeyWDHVSNQUSYGRKE-SNVBAGLBSA-N
MW262.21 g/mol
LogP1.97
Rot. Bonds2

About (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine

(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine (PubChem CID 71092927) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine
PubChem CID71092927
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine
SMILESNC1=NCC(F)(F)[C@@](CF)(c2ccccc2F)O1
InChIInChI=1S/C11H10F4N2O/c12-5-10(7-3-1-2-4-8(7)13)11(14,15)6-17-9(16)18-10/h1-4H,5-6H2,(H2,16,17)/t10-/m1/s1
InChIKeyWDHVSNQUSYGRKE-SNVBAGLBSA-N
XLogP1.97
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-(2-fluorophenyl)-1,4-dihydroimidazol-2-amine
CID 112680364
(4S,4aS,5S,7aS)-4-(fluoromethyl)-4-(2-fluorophenyl)-5-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-2-amine
CID 157405724
5-ethyl-5-(2-fluorophenyl)-1-methyl-4H-imidazol-2-amine
CID 112680367
(3S)-3-(fluoromethyl)-3-(2-fluorophenyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 86728108
(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 118399151
4-(bromomethyl)-4-(2-fluorophenyl)oxane
CID 82093429
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
CID 115034996
6-(2-fluorophenyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-4-amine
CID 174695068
[3-(2-fluorophenyl)morpholin-3-yl]methanol
CID 105464864
(4R)-4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
CID 143728749
(4S,6S)-4-(2,3-difluorophenyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 86732225

Frequently Asked Questions

What is the IUPAC name of (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine?
The IUPAC name of (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine (CID 71092927) is (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine.
What is the SMILES notation for (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine?
The canonical SMILES for (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine is NC1=NCC(F)(F)[C@@](CF)(c2ccccc2F)O1.
What is the InChIKey of (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine?
The InChIKey is WDHVSNQUSYGRKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-5-10(7-3-1-2-4-8(7)13)11(14,15)6-17-9(16)18-10/h1-4H,5-6H2,(H2,16,17)/t10-/m1/s1.
What are the key properties of (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine?
(6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine has a molecular weight of 262.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5,5-difluoro-6-(fluoromethyl)-6-(2-fluorophenyl)-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 71092927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).