3,4-bis(trifluoromethyl)pyridine

C7H3F6N — CID 14937917

IUPAC3,4-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1C(F)(F)F
InChIInChI=1S/C7H3F6N/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13/h1-3H
InChIKeySVYGFFYEEPFDOC-UHFFFAOYSA-N
MW215.10 g/mol
LogP3.12
Rot. Bonds

About 3,4-bis(trifluoromethyl)pyridine

3,4-bis(trifluoromethyl)pyridine (PubChem CID 14937917) has the molecular formula C7H3F6N and a molecular weight of 215.10 g/mol. Its IUPAC name is 3,4-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,4-bis(trifluoromethyl)pyridine
PubChem CID14937917
Molecular FormulaC7H3F6N
Molecular Weight215.10 g/mol
Exact Mass215.02
IUPAC Name3,4-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1C(F)(F)F
InChIInChI=1S/C7H3F6N/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13/h1-3H
InChIKeySVYGFFYEEPFDOC-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(trifluoromethyl)pyridine?
The IUPAC name of 3,4-bis(trifluoromethyl)pyridine (CID 14937917) is 3,4-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 3,4-bis(trifluoromethyl)pyridine?
The canonical SMILES for 3,4-bis(trifluoromethyl)pyridine is FC(F)(F)c1ccncc1C(F)(F)F.
What is the InChIKey of 3,4-bis(trifluoromethyl)pyridine?
The InChIKey is SVYGFFYEEPFDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13/h1-3H.
What are the key properties of 3,4-bis(trifluoromethyl)pyridine?
3,4-bis(trifluoromethyl)pyridine has a molecular weight of 215.10 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 14937917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).