1-but-3-enyl-5,5-difluoropiperidin-3-ol

C9H15F2NO — CID 130678320

IUPAC1-but-3-enyl-5,5-difluoropiperidin-3-ol
SMILESC=CCCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-2-3-4-12-6-8(13)5-9(10,11)7-12/h2,8,13H,1,3-7H2
InChIKeyBNYZIWKCWNCSGX-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.26
Rot. Bonds3

About 1-but-3-enyl-5,5-difluoropiperidin-3-ol

1-but-3-enyl-5,5-difluoropiperidin-3-ol (PubChem CID 130678320) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-but-3-enyl-5,5-difluoropiperidin-3-ol.

Molecular Properties

Compound Name1-but-3-enyl-5,5-difluoropiperidin-3-ol
PubChem CID130678320
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-but-3-enyl-5,5-difluoropiperidin-3-ol
SMILESC=CCCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-2-3-4-12-6-8(13)5-9(10,11)7-12/h2,8,13H,1,3-7H2
InChIKeyBNYZIWKCWNCSGX-UHFFFAOYSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-5,5-difluoropiperidin-3-ol?
The IUPAC name of 1-but-3-enyl-5,5-difluoropiperidin-3-ol (CID 130678320) is 1-but-3-enyl-5,5-difluoropiperidin-3-ol.
What is the SMILES notation for 1-but-3-enyl-5,5-difluoropiperidin-3-ol?
The canonical SMILES for 1-but-3-enyl-5,5-difluoropiperidin-3-ol is C=CCCN1CC(O)CC(F)(F)C1.
What is the InChIKey of 1-but-3-enyl-5,5-difluoropiperidin-3-ol?
The InChIKey is BNYZIWKCWNCSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-3-4-12-6-8(13)5-9(10,11)7-12/h2,8,13H,1,3-7H2.
What are the key properties of 1-but-3-enyl-5,5-difluoropiperidin-3-ol?
1-but-3-enyl-5,5-difluoropiperidin-3-ol has a molecular weight of 191.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-5,5-difluoropiperidin-3-ol is sourced from PubChem (CID 130678320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).