6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide

C19H16F6N2O2 — CID 142414873

IUPAC6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3(C(F)(F)C(F)(F)F)CC3)cc2F)nc1
InChIInChI=1S/C19H16F6N2O2/c1-27(2)16(28)11-3-6-15(26-10-11)29-14-5-4-12(9-13(14)20)17(7-8-17)18(21,22)19(23,24)25/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNGILPEIMAOBEIZ-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.94
Rot. Bonds5

About 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide

6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 142414873) has the molecular formula C19H16F6N2O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide
PubChem CID142414873
Molecular FormulaC19H16F6N2O2
Molecular Weight418.34 g/mol
Exact Mass418.11
IUPAC Name6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3(C(F)(F)C(F)(F)F)CC3)cc2F)nc1
InChIInChI=1S/C19H16F6N2O2/c1-27(2)16(28)11-3-6-15(26-10-11)29-14-5-4-12(9-13(14)20)17(7-8-17)18(21,22)19(23,24)25/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNGILPEIMAOBEIZ-UHFFFAOYSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide (CID 142414873) is 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(Oc2ccc(C3(C(F)(F)C(F)(F)F)CC3)cc2F)nc1.
What is the InChIKey of 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is NGILPEIMAOBEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2/c1-27(2)16(28)11-3-6-15(26-10-11)29-14-5-4-12(9-13(14)20)17(7-8-17)18(21,22)19(23,24)25/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide?
6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 142414873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).