1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine

C8H7F6N — CID 175919239

IUPAC1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)CN1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H7F6N/c9-7(10,11)5-15-3-1-2-6(4-15)8(12,13)14/h1-3H,4-5H2
InChIKeyRVQBRLQNAFDVPM-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.87
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine

1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine (PubChem CID 175919239) has the molecular formula C8H7F6N and a molecular weight of 231.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine
PubChem CID175919239
Molecular FormulaC8H7F6N
Molecular Weight231.14 g/mol
Exact Mass231.05
IUPAC Name1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)CN1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H7F6N/c9-7(10,11)5-15-3-1-2-6(4-15)8(12,13)14/h1-3H,4-5H2
InChIKeyRVQBRLQNAFDVPM-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine (CID 175919239) is 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine is FC(F)(F)CN1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is RVQBRLQNAFDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N/c9-7(10,11)5-15-3-1-2-6(4-15)8(12,13)14/h1-3H,4-5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine?
1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 231.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 175919239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).