(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H16F2N2O2 — CID 79772828

IUPAC(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2C3CCC2CC(O)C3)c1F
InChIInChI=1S/C14H16F2N2O2/c15-10-3-4-11(17)13(16)12(10)14(20)18-7-1-2-8(18)6-9(19)5-7/h3-4,7-9,19H,1-2,5-6,17H2
InChIKeyDDAYCVAPCDTGKA-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.67
Rot. Bonds1

About (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 79772828) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID79772828
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2C3CCC2CC(O)C3)c1F
InChIInChI=1S/C14H16F2N2O2/c15-10-3-4-11(17)13(16)12(10)14(20)18-7-1-2-8(18)6-9(19)5-7/h3-4,7-9,19H,1-2,5-6,17H2
InChIKeyDDAYCVAPCDTGKA-UHFFFAOYSA-N
XLogP1.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 79772828) is (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1ccc(F)c(C(=O)N2C3CCC2CC(O)C3)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is DDAYCVAPCDTGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-10-3-4-11(17)13(16)12(10)14(20)18-7-1-2-8(18)6-9(19)5-7/h3-4,7-9,19H,1-2,5-6,17H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 282.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 79772828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).