3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide

C15H9F6NO2 — CID 146305959

IUPAC3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H9F6NO2/c16-11-7-8(13(22)23)1-6-12(11)24-10-4-2-9(3-5-10)14(17,18)15(19,20)21/h1-7H,(H2,22,23)
InChIKeyJOULGBQHWQQJOG-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.37
Rot. Bonds4

About 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide

3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide (PubChem CID 146305959) has the molecular formula C15H9F6NO2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
PubChem CID146305959
Molecular FormulaC15H9F6NO2
Molecular Weight349.23 g/mol
Exact Mass349.05
IUPAC Name3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C15H9F6NO2/c16-11-7-8(13(22)23)1-6-12(11)24-10-4-2-9(3-5-10)14(17,18)15(19,20)21/h1-7H,(H2,22,23)
InChIKeyJOULGBQHWQQJOG-UHFFFAOYSA-N
XLogP4.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 158189564
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
3-fluoro-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenoxy]benzoic acid
CID 146305965
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
ethyl 4-[4-(1,1-difluoroethyl)phenoxy]-3-fluorobenzoate
CID 142415329
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479
4-[4-(1,1-difluoroethyl)phenoxy]-3-fluoro-N,N-dimethylbenzamide
CID 162134350
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide?
The IUPAC name of 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide (CID 146305959) is 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide.
What is the SMILES notation for 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide?
The canonical SMILES for 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide?
The InChIKey is JOULGBQHWQQJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO2/c16-11-7-8(13(22)23)1-6-12(11)24-10-4-2-9(3-5-10)14(17,18)15(19,20)21/h1-7H,(H2,22,23).
What are the key properties of 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide?
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide has a molecular weight of 349.23 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide is sourced from PubChem (CID 146305959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).