(3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C18H24F2N2O2 — CID 87053373

IUPAC(3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCN(C)CC1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2
InChIInChI=1S/C18H24F2N2O2/c1-21(2)10-14-11-22(12-18(14)5-7-24-8-6-18)17(23)13-3-4-15(19)16(20)9-13/h3-4,9,14H,5-8,10-12H2,1-2H3
InChIKeyDTUWFZRHABKSJS-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.40
Rot. Bonds3

About (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 87053373) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID87053373
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCN(C)CC1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2
InChIInChI=1S/C18H24F2N2O2/c1-21(2)10-14-11-22(12-18(14)5-7-24-8-6-18)17(23)13-3-4-15(19)16(20)9-13/h3-4,9,14H,5-8,10-12H2,1-2H3
InChIKeyDTUWFZRHABKSJS-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 (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 87053373) is (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CN(C)CC1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2.
What is the InChIKey of (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is DTUWFZRHABKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-21(2)10-14-11-22(12-18(14)5-7-24-8-6-18)17(23)13-3-4-15(19)16(20)9-13/h3-4,9,14H,5-8,10-12H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3,4-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 (3,4-difluorophenyl)-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 87053373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).