(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone

C18H18F2N2O — CID 131704030

IUPAC(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C18H18F2N2O/c19-18(20)13-17(18)7-11-22(12-8-17)16(23)14-3-5-15(6-4-14)21-9-1-2-10-21/h1-6,9-10H,7-8,11-13H2
InChIKeyYWVCFJDLFNWXCP-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.74
Rot. Bonds2

About (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 131704030) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID131704030
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C18H18F2N2O/c19-18(20)13-17(18)7-11-22(12-8-17)16(23)14-3-5-15(6-4-14)21-9-1-2-10-21/h1-6,9-10H,7-8,11-13H2
InChIKeyYWVCFJDLFNWXCP-UHFFFAOYSA-N
XLogP3.74
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 131704030) is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is YWVCFJDLFNWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-18(20)13-17(18)7-11-22(12-8-17)16(23)14-3-5-15(6-4-14)21-9-1-2-10-21/h1-6,9-10H,7-8,11-13H2.
What are the key properties of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone?
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 316.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 131704030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).