[3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone

C14H24F2N2O2 — CID 166715390

IUPAC[3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone
SMILESCNCCC(C)C1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C14H24F2N2O2/c1-11(4-5-17-2)13(8-14(15,16)9-13)12(19)18-6-3-7-20-10-18/h11,17H,3-10H2,1-2H3
InChIKeyJZQCVKSMEZHUBL-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.85
Rot. Bonds5

About [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone

[3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone (PubChem CID 166715390) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name[3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone
PubChem CID166715390
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name[3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone
SMILESCNCCC(C)C1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C14H24F2N2O2/c1-11(4-5-17-2)13(8-14(15,16)9-13)12(19)18-6-3-7-20-10-18/h11,17H,3-10H2,1-2H3
InChIKeyJZQCVKSMEZHUBL-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Difluoro-1-propan-2-ylcyclobutyl)-(1,3-oxazinan-3-yl)methanone
CID 134302983
(1-Ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
CID 142295178
(3,3-Difluoro-1-propan-2-ylcyclobutyl)-piperazin-1-ylmethanone
CID 146411203
N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61030194
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 120126695
3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride
CID 120890442
3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890443

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone (CID 166715390) is [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone is CNCCC(C)C1(C(=O)N2CCCOC2)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone?
The InChIKey is JZQCVKSMEZHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-11(4-5-17-2)13(8-14(15,16)9-13)12(19)18-6-3-7-20-10-18/h11,17H,3-10H2,1-2H3.
What are the key properties of [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone?
[3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone has a molecular weight of 290.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 166715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).