3-(difluoromethyl)-2-ethyl-5-fluoropyridine

C8H8F3N — CID 173055715

IUPAC3-(difluoromethyl)-2-ethyl-5-fluoropyridine
SMILESCCc1ncc(F)cc1C(F)F
InChIInChI=1S/C8H8F3N/c1-2-7-6(8(10)11)3-5(9)4-12-7/h3-4,8H,2H2,1H3
InChIKeyZPIDMWMCBCRRQB-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.72
Rot. Bonds2

About 3-(difluoromethyl)-2-ethyl-5-fluoropyridine

3-(difluoromethyl)-2-ethyl-5-fluoropyridine (PubChem CID 173055715) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-ethyl-5-fluoropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-ethyl-5-fluoropyridine
PubChem CID173055715
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name3-(difluoromethyl)-2-ethyl-5-fluoropyridine
SMILESCCc1ncc(F)cc1C(F)F
InChIInChI=1S/C8H8F3N/c1-2-7-6(8(10)11)3-5(9)4-12-7/h3-4,8H,2H2,1H3
InChIKeyZPIDMWMCBCRRQB-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-ethyl-5-fluoropyridine?
The IUPAC name of 3-(difluoromethyl)-2-ethyl-5-fluoropyridine (CID 173055715) is 3-(difluoromethyl)-2-ethyl-5-fluoropyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-ethyl-5-fluoropyridine?
The canonical SMILES for 3-(difluoromethyl)-2-ethyl-5-fluoropyridine is CCc1ncc(F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-ethyl-5-fluoropyridine?
The InChIKey is ZPIDMWMCBCRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-2-7-6(8(10)11)3-5(9)4-12-7/h3-4,8H,2H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-ethyl-5-fluoropyridine?
3-(difluoromethyl)-2-ethyl-5-fluoropyridine has a molecular weight of 175.15 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-ethyl-5-fluoropyridine is sourced from PubChem (CID 173055715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).