(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine

C16H20F3N3O2 — CID 71008966

IUPAC(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc(NCC3CCOC3)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H20F3N3O2/c1-15(16(18,19)9-24-14(20)22-15)12-6-11(2-3-13(12)17)21-7-10-4-5-23-8-10/h2-3,6,10,21H,4-5,7-9H2,1H3,(H2,20,22)/t10?,15-/m1/s1
InChIKeySIZQGSOKZNQEKF-GENIYJEYSA-N
MW343.35 g/mol
LogP2.47
Rot. Bonds4

About (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine

(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine (PubChem CID 71008966) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine
PubChem CID71008966
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc(NCC3CCOC3)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H20F3N3O2/c1-15(16(18,19)9-24-14(20)22-15)12-6-11(2-3-13(12)17)21-7-10-4-5-23-8-10/h2-3,6,10,21H,4-5,7-9H2,1H3,(H2,20,22)/t10?,15-/m1/s1
InChIKeySIZQGSOKZNQEKF-GENIYJEYSA-N
XLogP2.47
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine?
The IUPAC name of (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine (CID 71008966) is (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine.
What is the SMILES notation for (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine?
The canonical SMILES for (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine is C[C@]1(c2cc(NCC3CCOC3)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine?
The InChIKey is SIZQGSOKZNQEKF-GENIYJEYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-15(16(18,19)9-24-14(20)22-15)12-6-11(2-3-13(12)17)21-7-10-4-5-23-8-10/h2-3,6,10,21H,4-5,7-9H2,1H3,(H2,20,22)/t10?,15-/m1/s1.
What are the key properties of (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine?
(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine has a molecular weight of 343.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 71008966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).