6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine

C10H13F2N — CID 90977674

IUPAC6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
SMILESC=CC1=CC(CC)CN=C1C(F)F
InChIInChI=1S/C10H13F2N/c1-3-7-5-8(4-2)9(10(11)12)13-6-7/h4-5,7,10H,2-3,6H2,1H3
InChIKeyICVVHCNDQMHGBV-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.84
Rot. Bonds3

About 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine

6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine (PubChem CID 90977674) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
PubChem CID90977674
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
SMILESC=CC1=CC(CC)CN=C1C(F)F
InChIInChI=1S/C10H13F2N/c1-3-7-5-8(4-2)9(10(11)12)13-6-7/h4-5,7,10H,2-3,6H2,1H3
InChIKeyICVVHCNDQMHGBV-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine?
The IUPAC name of 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine (CID 90977674) is 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine.
What is the SMILES notation for 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine?
The canonical SMILES for 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine is C=CC1=CC(CC)CN=C1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine?
The InChIKey is ICVVHCNDQMHGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-3-7-5-8(4-2)9(10(11)12)13-6-7/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine?
6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine has a molecular weight of 185.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine is sourced from PubChem (CID 90977674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).