3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine

C6H3F6N — CID 88698110

IUPAC3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine
SMILESFC1=C(F)C(F)(C(F)(F)F)CN=C1
InChIInChI=1S/C6H3F6N/c7-3-1-13-2-5(9,4(3)8)6(10,11)12/h1H,2H2
InChIKeyNTSKPDHUDBWWIL-UHFFFAOYSA-N
MW203.09 g/mol
LogP2.49
Rot. Bonds

About 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine

3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine (PubChem CID 88698110) has the molecular formula C6H3F6N and a molecular weight of 203.09 g/mol. Its IUPAC name is 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine
PubChem CID88698110
Molecular FormulaC6H3F6N
Molecular Weight203.09 g/mol
Exact Mass203.02
IUPAC Name3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine
SMILESFC1=C(F)C(F)(C(F)(F)F)CN=C1
InChIInChI=1S/C6H3F6N/c7-3-1-13-2-5(9,4(3)8)6(10,11)12/h1H,2H2
InChIKeyNTSKPDHUDBWWIL-UHFFFAOYSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine (CID 88698110) is 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine is FC1=C(F)C(F)(C(F)(F)F)CN=C1.
What is the InChIKey of 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is NTSKPDHUDBWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6N/c7-3-1-13-2-5(9,4(3)8)6(10,11)12/h1H,2H2.
What are the key properties of 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine?
3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 203.09 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 88698110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).