(2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C18H24F2N2O2 — CID 87053377

IUPAC(2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCN(C)CC1CN(C(=O)c2cc(F)ccc2F)CC12CCOCC2
InChIInChI=1S/C18H24F2N2O2/c1-21(2)10-13-11-22(12-18(13)5-7-24-8-6-18)17(23)15-9-14(19)3-4-16(15)20/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKeyNHVMQYQNWRVWSO-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.40
Rot. Bonds3

About (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 87053377) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID87053377
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCN(C)CC1CN(C(=O)c2cc(F)ccc2F)CC12CCOCC2
InChIInChI=1S/C18H24F2N2O2/c1-21(2)10-13-11-22(12-18(13)5-7-24-8-6-18)17(23)15-9-14(19)3-4-16(15)20/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKeyNHVMQYQNWRVWSO-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 87053377) is (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CN(C)CC1CN(C(=O)c2cc(F)ccc2F)CC12CCOCC2.
What is the InChIKey of (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is NHVMQYQNWRVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-21(2)10-13-11-22(12-18(13)5-7-24-8-6-18)17(23)15-9-14(19)3-4-16(15)20/h3-4,9,13H,5-8,10-12H2,1-2H3.
What are the key properties of (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 87053377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).