4-(difluoromethyl)-1,2,3,4-tetrahydropyridine

C6H9F2N — CID 162552636

IUPAC4-(difluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESFC(F)C1C=CNCC1
InChIInChI=1S/C6H9F2N/c7-6(8)5-1-3-9-4-2-5/h1,3,5-6,9H,2,4H2
InChIKeyHNJBILZSTSMPQI-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.37
Rot. Bonds1

About 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine

4-(difluoromethyl)-1,2,3,4-tetrahydropyridine (PubChem CID 162552636) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1,2,3,4-tetrahydropyridine
PubChem CID162552636
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name4-(difluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESFC(F)C1C=CNCC1
InChIInChI=1S/C6H9F2N/c7-6(8)5-1-3-9-4-2-5/h1,3,5-6,9H,2,4H2
InChIKeyHNJBILZSTSMPQI-UHFFFAOYSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine (CID 162552636) is 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine is FC(F)C1C=CNCC1.
What is the InChIKey of 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is HNJBILZSTSMPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)5-1-3-9-4-2-5/h1,3,5-6,9H,2,4H2.
What are the key properties of 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine?
4-(difluoromethyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 133.14 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 162552636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).