1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine

C8H13F2N — CID 126994799

IUPAC1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC(F)F)CC1
InChIInChI=1S/C8H13F2N/c1-7-2-4-11(5-3-7)6-8(9)10/h2,8H,3-6H2,1H3
InChIKeySSPKLZYKNILQHQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine

1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 126994799) has the molecular formula C8H13F2N and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID126994799
Molecular FormulaC8H13F2N
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC(F)F)CC1
InChIInChI=1S/C8H13F2N/c1-7-2-4-11(5-3-7)6-8(9)10/h2,8H,3-6H2,1H3
InChIKeySSPKLZYKNILQHQ-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 126994799) is 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is SSPKLZYKNILQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7-2-4-11(5-3-7)6-8(9)10/h2,8H,3-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 161.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126994799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).