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

C7H6F3N — CID 175405303

IUPAC3-(1,2,2-trifluoroethyl)pyridine
SMILESFC(F)C(F)c1cccnc1
InChIInChI=1S/C7H6F3N/c8-6(7(9)10)5-2-1-3-11-4-5/h1-4,6-7H
InChIKeyVCTOWHCYIPIFSP-UHFFFAOYSA-N
MW161.13 g/mol
LogP2.36
Rot. Bonds2

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

3-(1,2,2-trifluoroethyl)pyridine (PubChem CID 175405303) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 3-(1,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name3-(1,2,2-trifluoroethyl)pyridine
PubChem CID175405303
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name3-(1,2,2-trifluoroethyl)pyridine
SMILESFC(F)C(F)c1cccnc1
InChIInChI=1S/C7H6F3N/c8-6(7(9)10)5-2-1-3-11-4-5/h1-4,6-7H
InChIKeyVCTOWHCYIPIFSP-UHFFFAOYSA-N
XLogP2.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
amino(pyridin-3-yl)methanethiol
CID 116939546
2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2,2-dipyridin-3-ylethanol
CID 57450821
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
4-fluoro-2-methyl-4-pyridin-3-ylbutan-2-amine
CID 130538853
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2-trifluoroethyl)pyridine?
The IUPAC name of 3-(1,2,2-trifluoroethyl)pyridine (CID 175405303) is 3-(1,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 3-(1,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 3-(1,2,2-trifluoroethyl)pyridine is FC(F)C(F)c1cccnc1.
What is the InChIKey of 3-(1,2,2-trifluoroethyl)pyridine?
The InChIKey is VCTOWHCYIPIFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N/c8-6(7(9)10)5-2-1-3-11-4-5/h1-4,6-7H.
What are the key properties of 3-(1,2,2-trifluoroethyl)pyridine?
3-(1,2,2-trifluoroethyl)pyridine has a molecular weight of 161.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 175405303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).