3-(difluoromethyl)-6-methyl-3,4-dihydropyridine

C7H9F2N — CID 144727300

IUPAC3-(difluoromethyl)-6-methyl-3,4-dihydropyridine
SMILESCC1=CCC(C(F)F)C=N1
InChIInChI=1S/C7H9F2N/c1-5-2-3-6(4-10-5)7(8)9/h2,4,6-7H,3H2,1H3
InChIKeyZBOWNIFSIPLFNC-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.25
Rot. Bonds1

About 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine

3-(difluoromethyl)-6-methyl-3,4-dihydropyridine (PubChem CID 144727300) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-3,4-dihydropyridine
PubChem CID144727300
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name3-(difluoromethyl)-6-methyl-3,4-dihydropyridine
SMILESCC1=CCC(C(F)F)C=N1
InChIInChI=1S/C7H9F2N/c1-5-2-3-6(4-10-5)7(8)9/h2,4,6-7H,3H2,1H3
InChIKeyZBOWNIFSIPLFNC-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine?
The IUPAC name of 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine (CID 144727300) is 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine is CC1=CCC(C(F)F)C=N1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine?
The InChIKey is ZBOWNIFSIPLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5-2-3-6(4-10-5)7(8)9/h2,4,6-7H,3H2,1H3.
What are the key properties of 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine?
3-(difluoromethyl)-6-methyl-3,4-dihydropyridine has a molecular weight of 145.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-methyl-3,4-dihydropyridine is sourced from PubChem (CID 144727300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).