(4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine

C11H10ClF2N3O3 — CID 58304243

IUPAC(4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc([N+](=O)[O-])ccc2Cl)N=C(N)OCC1(F)F
InChIInChI=1S/C11H10ClF2N3O3/c1-10(11(13,14)5-20-9(15)16-10)7-4-6(17(18)19)2-3-8(7)12/h2-4H,5H2,1H3,(H2,15,16)/t10-/m1/s1
InChIKeyLWUOJBGIFQIBQP-SNVBAGLBSA-N
MW305.67 g/mol
LogP2.44
Rot. Bonds2

About (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine

(4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (PubChem CID 58304243) has the molecular formula C11H10ClF2N3O3 and a molecular weight of 305.67 g/mol. Its IUPAC name is (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
PubChem CID58304243
Molecular FormulaC11H10ClF2N3O3
Molecular Weight305.67 g/mol
Exact Mass305.04
IUPAC Name(4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc([N+](=O)[O-])ccc2Cl)N=C(N)OCC1(F)F
InChIInChI=1S/C11H10ClF2N3O3/c1-10(11(13,14)5-20-9(15)16-10)7-4-6(17(18)19)2-3-8(7)12/h2-4H,5H2,1H3,(H2,15,16)/t10-/m1/s1
InChIKeyLWUOJBGIFQIBQP-SNVBAGLBSA-N
XLogP2.44
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The IUPAC name of (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (CID 58304243) is (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.
What is the SMILES notation for (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The canonical SMILES for (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)N=C(N)OCC1(F)F.
What is the InChIKey of (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The InChIKey is LWUOJBGIFQIBQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10ClF2N3O3/c1-10(11(13,14)5-20-9(15)16-10)7-4-6(17(18)19)2-3-8(7)12/h2-4H,5H2,1H3,(H2,15,16)/t10-/m1/s1.
What are the key properties of (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
(4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine has a molecular weight of 305.67 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloro-5-nitrophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 58304243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).