5,5-difluoro-1-prop-2-enylpiperidin-3-ol

C8H13F2NO — CID 131036093

IUPAC5,5-difluoro-1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-2-3-11-5-7(12)4-8(9,10)6-11/h2,7,12H,1,3-6H2
InChIKeyUKEJJWJVRXOMSO-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.87
Rot. Bonds2

About 5,5-difluoro-1-prop-2-enylpiperidin-3-ol

5,5-difluoro-1-prop-2-enylpiperidin-3-ol (PubChem CID 131036093) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 5,5-difluoro-1-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name5,5-difluoro-1-prop-2-enylpiperidin-3-ol
PubChem CID131036093
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name5,5-difluoro-1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-2-3-11-5-7(12)4-8(9,10)6-11/h2,7,12H,1,3-6H2
InChIKeyUKEJJWJVRXOMSO-UHFFFAOYSA-N
XLogP0.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.87
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 5,5-difluoro-1-prop-2-enylpiperidin-3-ol?
The IUPAC name of 5,5-difluoro-1-prop-2-enylpiperidin-3-ol (CID 131036093) is 5,5-difluoro-1-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for 5,5-difluoro-1-prop-2-enylpiperidin-3-ol?
The canonical SMILES for 5,5-difluoro-1-prop-2-enylpiperidin-3-ol is C=CCN1CC(O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-prop-2-enylpiperidin-3-ol?
The InChIKey is UKEJJWJVRXOMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-3-11-5-7(12)4-8(9,10)6-11/h2,7,12H,1,3-6H2.
What are the key properties of 5,5-difluoro-1-prop-2-enylpiperidin-3-ol?
5,5-difluoro-1-prop-2-enylpiperidin-3-ol has a molecular weight of 177.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 131036093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).