N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide

C13H12F3NO2 — CID 142643908

IUPACN-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide
SMILESC=CCC=CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO2/c1-2-3-4-5-12(18)17-10-6-8-11(9-7-10)19-13(14,15)16/h2,4-9H,1,3H2,(H,17,18)
InChIKeyWQLOXXJXTMBIQO-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide

N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide (PubChem CID 142643908) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide
PubChem CID142643908
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC NameN-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide
SMILESC=CCC=CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO2/c1-2-3-4-5-12(18)17-10-6-8-11(9-7-10)19-13(14,15)16/h2,4-9H,1,3H2,(H,17,18)
InChIKeyWQLOXXJXTMBIQO-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 676843
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide
CID 19972048
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide (CID 142643908) is N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide is C=CCC=CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide?
The InChIKey is WQLOXXJXTMBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-2-3-4-5-12(18)17-10-6-8-11(9-7-10)19-13(14,15)16/h2,4-9H,1,3H2,(H,17,18).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide?
N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide has a molecular weight of 271.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide is sourced from PubChem (CID 142643908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).