4-(butoxymethyl)-3,3-difluoropiperidin-2-one

C10H17F2NO2 — CID 46177421

IUPAC4-(butoxymethyl)-3,3-difluoropiperidin-2-one
SMILESCCCCOCC1CCNC(=O)C1(F)F
InChIInChI=1S/C10H17F2NO2/c1-2-3-6-15-7-8-4-5-13-9(14)10(8,11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyVZQVETIPFUJQQT-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds5

About 4-(butoxymethyl)-3,3-difluoropiperidin-2-one

4-(butoxymethyl)-3,3-difluoropiperidin-2-one (PubChem CID 46177421) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 4-(butoxymethyl)-3,3-difluoropiperidin-2-one.

Molecular Properties

Compound Name4-(butoxymethyl)-3,3-difluoropiperidin-2-one
PubChem CID46177421
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name4-(butoxymethyl)-3,3-difluoropiperidin-2-one
SMILESCCCCOCC1CCNC(=O)C1(F)F
InChIInChI=1S/C10H17F2NO2/c1-2-3-6-15-7-8-4-5-13-9(14)10(8,11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyVZQVETIPFUJQQT-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-3,3-difluoropiperidin-2-one?
The IUPAC name of 4-(butoxymethyl)-3,3-difluoropiperidin-2-one (CID 46177421) is 4-(butoxymethyl)-3,3-difluoropiperidin-2-one.
What is the SMILES notation for 4-(butoxymethyl)-3,3-difluoropiperidin-2-one?
The canonical SMILES for 4-(butoxymethyl)-3,3-difluoropiperidin-2-one is CCCCOCC1CCNC(=O)C1(F)F.
What is the InChIKey of 4-(butoxymethyl)-3,3-difluoropiperidin-2-one?
The InChIKey is VZQVETIPFUJQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-3-6-15-7-8-4-5-13-9(14)10(8,11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-(butoxymethyl)-3,3-difluoropiperidin-2-one?
4-(butoxymethyl)-3,3-difluoropiperidin-2-one has a molecular weight of 221.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-3,3-difluoropiperidin-2-one is sourced from PubChem (CID 46177421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).