2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone

C9H13F2NO2 — CID 126769969

IUPAC2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)COC(F)F)CC1
InChIInChI=1S/C9H13F2NO2/c1-7-2-4-12(5-3-7)8(13)6-14-9(10)11/h9H,1-6H2
InChIKeyJPCPFGWCSFZXAP-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.40
Rot. Bonds3

About 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone

2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone (PubChem CID 126769969) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
PubChem CID126769969
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)COC(F)F)CC1
InChIInChI=1S/C9H13F2NO2/c1-7-2-4-12(5-3-7)8(13)6-14-9(10)11/h9H,1-6H2
InChIKeyJPCPFGWCSFZXAP-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-pentan-2-yloxyacetyl)piperidin-4-one
CID 102982864
2-propan-2-yloxy-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 112691124
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
1-[4-(difluoromethylidene)piperidin-1-yl]-2-pentoxyethanone
CID 126833755
1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56537890
[3-[2-(difluoromethoxy)acetyl]-9-(2,6-dimethyl-4-prop-1-ynylphenyl)-10-oxo-3-azaspiro[5.5]undec-8-en-8-yl] methyl carbonate
CID 139478210
1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425847
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
2-(1-iodoethoxy)-1-morpholin-4-ylethanone
CID 139461043
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
CID 56537916

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
The IUPAC name of 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone (CID 126769969) is 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone is C=C1CCN(C(=O)COC(F)F)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
The InChIKey is JPCPFGWCSFZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-7-2-4-12(5-3-7)8(13)6-14-9(10)11/h9H,1-6H2.
What are the key properties of 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone has a molecular weight of 205.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 126769969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).