(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol

C6H9F2NO2 — CID 162544178

IUPAC(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol
SMILESO/C=C1/CNCC(F)(F)[C@@H]1O
InChIInChI=1S/C6H9F2NO2/c7-6(8)3-9-1-4(2-10)5(6)11/h2,5,9-11H,1,3H2/b4-2-/t5-/m1/s1
InChIKeyIWADPLWWYYMLGN-DWFCDSDJSA-N
MW165.14 g/mol
LogP0.03
Rot. Bonds

About (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol

(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol (PubChem CID 162544178) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol.

Molecular Properties

Compound Name(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol
PubChem CID162544178
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol
SMILESO/C=C1/CNCC(F)(F)[C@@H]1O
InChIInChI=1S/C6H9F2NO2/c7-6(8)3-9-1-4(2-10)5(6)11/h2,5,9-11H,1,3H2/b4-2-/t5-/m1/s1
InChIKeyIWADPLWWYYMLGN-DWFCDSDJSA-N
XLogP0.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol?
The IUPAC name of (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol (CID 162544178) is (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol.
What is the SMILES notation for (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol?
The canonical SMILES for (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol is O/C=C1/CNCC(F)(F)[C@@H]1O.
What is the InChIKey of (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol?
The InChIKey is IWADPLWWYYMLGN-DWFCDSDJSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)3-9-1-4(2-10)5(6)11/h2,5,9-11H,1,3H2/b4-2-/t5-/m1/s1.
What are the key properties of (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol?
(4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol has a molecular weight of 165.14 g/mol, XLogP of 0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5Z)-3,3-difluoro-5-(hydroxymethylidene)piperidin-4-ol is sourced from PubChem (CID 162544178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).