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

C7H8F3N — CID 90887733

IUPAC1-(2,2,2-trifluoroethyl)-2H-pyridine
SMILESFC(F)(F)CN1C=CC=CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)6-11-4-2-1-3-5-11/h1-4H,5-6H2
InChIKeyUBLKIGDBDMPFEA-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.93
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)-2H-pyridine (PubChem CID 90887733) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-2H-pyridine
PubChem CID90887733
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1-(2,2,2-trifluoroethyl)-2H-pyridine
SMILESFC(F)(F)CN1C=CC=CC1
InChIInChI=1S/C7H8F3N/c8-7(9,10)6-11-4-2-1-3-5-11/h1-4H,5-6H2
InChIKeyUBLKIGDBDMPFEA-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-1-methylpyridine
CID 20165927
n-Vinyl pyridine
CID 12371303
1-Ethylpyridine
CID 18172714
N-allyl-1,2-dihydropyridine
CID 19829269
6-fluoro-1-methyl-2H-pyridine
CID 19087015
1,2-difluoro-2H-pyridine
CID 54427725
2,6-difluoro-1-(trifluoromethyl)-2H-pyridine
CID 67942482
1-(2-fluoroethyl)-2H-pyridine
CID 88475325
1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
CID 90423426
1-(trifluoromethyl)-2H-pyridine
CID 91615672
3-fluoro-1-methyl-2H-pyridine
CID 121391418
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-2H-pyridine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-2H-pyridine (CID 90887733) is 1-(2,2,2-trifluoroethyl)-2H-pyridine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-2H-pyridine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-2H-pyridine is FC(F)(F)CN1C=CC=CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-2H-pyridine?
The InChIKey is UBLKIGDBDMPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-7(9,10)6-11-4-2-1-3-5-11/h1-4H,5-6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-2H-pyridine?
1-(2,2,2-trifluoroethyl)-2H-pyridine has a molecular weight of 163.14 g/mol, XLogP of 1.93, 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)-2H-pyridine is sourced from PubChem (CID 90887733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).