(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine

C20H22F3N3O — CID 71009071

IUPAC(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine
SMILESCc1ccccc1Nc1ccc(F)c([C@@]2(C)N=C(N)OC(C)(C)C2(F)F)c1
InChIInChI=1S/C20H22F3N3O/c1-12-7-5-6-8-16(12)25-13-9-10-15(21)14(11-13)19(4)20(22,23)18(2,3)27-17(24)26-19/h5-11,25H,1-4H3,(H2,24,26)/t19-/m1/s1
InChIKeyBRJRFADJMDWVSN-LJQANCHMSA-N
MW377.41 g/mol
LogP4.85
Rot. Bonds3

About (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine

(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine (PubChem CID 71009071) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine
PubChem CID71009071
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine
SMILESCc1ccccc1Nc1ccc(F)c([C@@]2(C)N=C(N)OC(C)(C)C2(F)F)c1
InChIInChI=1S/C20H22F3N3O/c1-12-7-5-6-8-16(12)25-13-9-10-15(21)14(11-13)19(4)20(22,23)18(2,3)27-17(24)26-19/h5-11,25H,1-4H3,(H2,24,26)/t19-/m1/s1
InChIKeyBRJRFADJMDWVSN-LJQANCHMSA-N
XLogP4.85
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine?
The IUPAC name of (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine (CID 71009071) is (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine.
What is the SMILES notation for (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine?
The canonical SMILES for (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine is Cc1ccccc1Nc1ccc(F)c([C@@]2(C)N=C(N)OC(C)(C)C2(F)F)c1.
What is the InChIKey of (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine?
The InChIKey is BRJRFADJMDWVSN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-12-7-5-6-8-16(12)25-13-9-10-15(21)14(11-13)19(4)20(22,23)18(2,3)27-17(24)26-19/h5-11,25H,1-4H3,(H2,24,26)/t19-/m1/s1.
What are the key properties of (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine?
(4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine has a molecular weight of 377.41 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-[2-fluoro-5-(2-methylanilino)phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine is sourced from PubChem (CID 71009071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).