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

C17H13F6NO2 — CID 159342881

IUPAC4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
SMILESCC(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H13F6NO2/c1-15(18,19)17(22,23)16(20,21)11-4-8-13(9-5-11)26-12-6-2-10(3-7-12)14(24)25/h2-9H,1H3,(H2,24,25)
InChIKeyLGIUKLCLZITMBX-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.96
Rot. Bonds6

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

4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide (PubChem CID 159342881) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
PubChem CID159342881
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC Name4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
SMILESCC(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H13F6NO2/c1-15(18,19)17(22,23)16(20,21)11-4-8-13(9-5-11)26-12-6-2-10(3-7-12)14(24)25/h2-9H,1H3,(H2,24,25)
InChIKeyLGIUKLCLZITMBX-UHFFFAOYSA-N
XLogP4.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.96
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
4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]-N,N-dimethylbenzamide
CID 161222669
4-(4-carbamoylphenoxy)benzamide
CID 156597124
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
methyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 147220326
4-(4-fluorophenoxy)benzamide
CID 22142233
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
CID 142414901
4-(4-hydroxyphenoxy)benzamide
CID 60869896
methyl 4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415405
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CID 146305959
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
CID 59533943

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide?
The IUPAC name of 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide (CID 159342881) is 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide is CC(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide?
The InChIKey is LGIUKLCLZITMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c1-15(18,19)17(22,23)16(20,21)11-4-8-13(9-5-11)26-12-6-2-10(3-7-12)14(24)25/h2-9H,1H3,(H2,24,25).
What are the key properties of 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide?
4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide has a molecular weight of 377.28 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide is sourced from PubChem (CID 159342881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).