2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine

C10H4F9N — CID 86664621

IUPAC2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
SMILESC=C(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H4F9N/c1-4(8(11,12)13)5-2-6(9(14,15)16)20-7(3-5)10(17,18)19/h2-3H,1H2
InChIKeyMYCBQEIHFMBDFU-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.69
Rot. Bonds1

About 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine

2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (PubChem CID 86664621) has the molecular formula C10H4F9N and a molecular weight of 309.13 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
PubChem CID86664621
Molecular FormulaC10H4F9N
Molecular Weight309.13 g/mol
Exact Mass309.02
IUPAC Name2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
SMILESC=C(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H4F9N/c1-4(8(11,12)13)5-2-6(9(14,15)16)20-7(3-5)10(17,18)19/h2-3H,1H2
InChIKeyMYCBQEIHFMBDFU-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The IUPAC name of 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (CID 86664621) is 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine.
What is the SMILES notation for 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The canonical SMILES for 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine is C=C(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The InChIKey is MYCBQEIHFMBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F9N/c1-4(8(11,12)13)5-2-6(9(14,15)16)20-7(3-5)10(17,18)19/h2-3H,1H2.
What are the key properties of 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine has a molecular weight of 309.13 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine is sourced from PubChem (CID 86664621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).