5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine

C10H15F2N — CID 135197188

IUPAC5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine
SMILESCCCC1CC=C(C(C)(F)F)C=N1
InChIInChI=1S/C10H15F2N/c1-3-4-9-6-5-8(7-13-9)10(2,11)12/h5,7,9H,3-4,6H2,1-2H3
InChIKeyKIVSGXQXQMECCJ-UHFFFAOYSA-N
MW187.23 g/mol
LogP3.21
Rot. Bonds3

About 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine

5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine (PubChem CID 135197188) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine
PubChem CID135197188
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine
SMILESCCCC1CC=C(C(C)(F)F)C=N1
InChIInChI=1S/C10H15F2N/c1-3-4-9-6-5-8(7-13-9)10(2,11)12/h5,7,9H,3-4,6H2,1-2H3
InChIKeyKIVSGXQXQMECCJ-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine (CID 135197188) is 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine is CCCC1CC=C(C(C)(F)F)C=N1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine?
The InChIKey is KIVSGXQXQMECCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-3-4-9-6-5-8(7-13-9)10(2,11)12/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine?
5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine has a molecular weight of 187.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 135197188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).