1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine

C9H12Cl2FN — CID 126993548

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(CC2CC2(Cl)Cl)C1
InChIInChI=1S/C9H12Cl2FN/c10-9(11)4-7(9)5-13-3-1-2-8(12)6-13/h2,7H,1,3-6H2
InChIKeyMHLPDCUWCIRMPX-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.74
Rot. Bonds2

About 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine

1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 126993548) has the molecular formula C9H12Cl2FN and a molecular weight of 224.11 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID126993548
Molecular FormulaC9H12Cl2FN
Molecular Weight224.11 g/mol
Exact Mass223.03
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
SMILESFC1=CCCN(CC2CC2(Cl)Cl)C1
InChIInChI=1S/C9H12Cl2FN/c10-9(11)4-7(9)5-13-3-1-2-8(12)6-13/h2,7H,1,3-6H2
InChIKeyMHLPDCUWCIRMPX-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine (CID 126993548) is 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine is FC1=CCCN(CC2CC2(Cl)Cl)C1.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is MHLPDCUWCIRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2FN/c10-9(11)4-7(9)5-13-3-1-2-8(12)6-13/h2,7H,1,3-6H2.
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 224.11 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126993548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).