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

C7H9F2N — CID 162560053

IUPAC4-(difluoromethyl)-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC=CC1C(F)F
InChIInChI=1S/C7H9F2N/c1-5-4-10-3-2-6(5)7(8)9/h2-7H,1H3
InChIKeyCPFGNWSSFWONMF-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.10
Rot. Bonds1

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

4-(difluoromethyl)-3-methyl-3,4-dihydropyridine (PubChem CID 162560053) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-3,4-dihydropyridine
PubChem CID162560053
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name4-(difluoromethyl)-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC=CC1C(F)F
InChIInChI=1S/C7H9F2N/c1-5-4-10-3-2-6(5)7(8)9/h2-7H,1H3
InChIKeyCPFGNWSSFWONMF-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine?
The IUPAC name of 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine (CID 162560053) is 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine is CC1C=NC=CC1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine?
The InChIKey is CPFGNWSSFWONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5-4-10-3-2-6(5)7(8)9/h2-7H,1H3.
What are the key properties of 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine?
4-(difluoromethyl)-3-methyl-3,4-dihydropyridine has a molecular weight of 145.15 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 162560053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).