5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine

C18H17F2N3O2 — CID 89235962

IUPAC5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine
SMILESNC1=NC2(CC(c3ccccc3)Oc3ccc(N)cc32)C(F)(F)CO1
InChIInChI=1S/C18H17F2N3O2/c19-18(20)10-24-16(22)23-17(18)9-15(11-4-2-1-3-5-11)25-14-7-6-12(21)8-13(14)17/h1-8,15H,9-10,21H2,(H2,22,23)
InChIKeyREMLDTDHYUKWQN-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.97
Rot. Bonds1

About 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine

5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine (PubChem CID 89235962) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine.

Molecular Properties

Compound Name5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine
PubChem CID89235962
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine
SMILESNC1=NC2(CC(c3ccccc3)Oc3ccc(N)cc32)C(F)(F)CO1
InChIInChI=1S/C18H17F2N3O2/c19-18(20)10-24-16(22)23-17(18)9-15(11-4-2-1-3-5-11)25-14-7-6-12(21)8-13(14)17/h1-8,15H,9-10,21H2,(H2,22,23)
InChIKeyREMLDTDHYUKWQN-UHFFFAOYSA-N
XLogP2.97
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine?
The IUPAC name of 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine (CID 89235962) is 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine.
What is the SMILES notation for 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine?
The canonical SMILES for 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine is NC1=NC2(CC(c3ccccc3)Oc3ccc(N)cc32)C(F)(F)CO1.
What is the InChIKey of 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine?
The InChIKey is REMLDTDHYUKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-18(20)10-24-16(22)23-17(18)9-15(11-4-2-1-3-5-11)25-14-7-6-12(21)8-13(14)17/h1-8,15H,9-10,21H2,(H2,22,23).
What are the key properties of 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine?
5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine has a molecular weight of 345.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine is sourced from PubChem (CID 89235962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).