3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride

C5H8ClF2N — CID 155973812

IUPAC3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride
SMILESCl.FC1(F)C=CCNC1
InChIInChI=1S/C5H7F2N.ClH/c6-5(7)2-1-3-8-4-5;/h1-2,8H,3-4H2;1H
InChIKeyDBYHJJBKBNCPAY-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.20
Rot. Bonds

About 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride

3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride (PubChem CID 155973812) has the molecular formula C5H8ClF2N and a molecular weight of 155.58 g/mol. Its IUPAC name is 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride
PubChem CID155973812
Molecular FormulaC5H8ClF2N
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride
SMILESCl.FC1(F)C=CCNC1
InChIInChI=1S/C5H7F2N.ClH/c6-5(7)2-1-3-8-4-5;/h1-2,8H,3-4H2;1H
InChIKeyDBYHJJBKBNCPAY-UHFFFAOYSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride?
The IUPAC name of 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride (CID 155973812) is 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride is Cl.FC1(F)C=CCNC1.
What is the InChIKey of 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride?
The InChIKey is DBYHJJBKBNCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N.ClH/c6-5(7)2-1-3-8-4-5;/h1-2,8H,3-4H2;1H.
What are the key properties of 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride?
3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,6-dihydro-1H-pyridine;hydrochloride is sourced from PubChem (CID 155973812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).