2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile

C15H11F4N3O — CID 133398730

IUPAC2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCCOc1ncccc1C(F)(F)F
InChIInChI=1S/C15H11F4N3O/c16-12-4-1-5-13(10(12)9-20)21-7-8-23-14-11(15(17,18)19)3-2-6-22-14/h1-6,21H,7-8H2
InChIKeyNFAAITARQPGWLJ-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.60
Rot. Bonds5

About 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile

2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile (PubChem CID 133398730) has the molecular formula C15H11F4N3O and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
PubChem CID133398730
Molecular FormulaC15H11F4N3O
Molecular Weight325.27 g/mol
Exact Mass325.08
IUPAC Name2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCCOc1ncccc1C(F)(F)F
InChIInChI=1S/C15H11F4N3O/c16-12-4-1-5-13(10(12)9-20)21-7-8-23-14-11(15(17,18)19)3-2-6-22-14/h1-6,21H,7-8H2
InChIKeyNFAAITARQPGWLJ-UHFFFAOYSA-N
XLogP3.60
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-nitro-4-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
CID 133398771
5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
CID 133423721
2-[2-(3-bromophenoxy)ethylamino]-6-fluorobenzonitrile
CID 47331206
2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
CID 51134818
4-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]aniline
CID 133398696
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393
5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
CID 133398666
4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-benzoxazol-2-amine
CID 133398672
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile (CID 133398730) is 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile is N#Cc1c(F)cccc1NCCOc1ncccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile?
The InChIKey is NFAAITARQPGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O/c16-12-4-1-5-13(10(12)9-20)21-7-8-23-14-11(15(17,18)19)3-2-6-22-14/h1-6,21H,7-8H2.
What are the key properties of 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile?
2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile has a molecular weight of 325.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile is sourced from PubChem (CID 133398730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).