(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone

C16H13F2NO2 — CID 138057670

IUPAC(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone
SMILESO=C(c1cccc2cccc(O)c12)N1CC2(C1)CC2(F)F
InChIInChI=1S/C16H13F2NO2/c17-16(18)7-15(16)8-19(9-15)14(21)11-5-1-3-10-4-2-6-12(20)13(10)11/h1-6,20H,7-9H2
InChIKeyTUAZIBBDQHFFOD-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.03
Rot. Bonds1

About (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone

(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone (PubChem CID 138057670) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone
PubChem CID138057670
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone
SMILESO=C(c1cccc2cccc(O)c12)N1CC2(C1)CC2(F)F
InChIInChI=1S/C16H13F2NO2/c17-16(18)7-15(16)8-19(9-15)14(21)11-5-1-3-10-4-2-6-12(20)13(10)11/h1-6,20H,7-9H2
InChIKeyTUAZIBBDQHFFOD-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone?
The IUPAC name of (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone (CID 138057670) is (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone.
What is the SMILES notation for (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone?
The canonical SMILES for (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone is O=C(c1cccc2cccc(O)c12)N1CC2(C1)CC2(F)F.
What is the InChIKey of (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone?
The InChIKey is TUAZIBBDQHFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-16(18)7-15(16)8-19(9-15)14(21)11-5-1-3-10-4-2-6-12(20)13(10)11/h1-6,20H,7-9H2.
What are the key properties of (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone?
(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone has a molecular weight of 289.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-(8-hydroxynaphthalen-1-yl)methanone is sourced from PubChem (CID 138057670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).