4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide

C16H20F3NO2 — CID 154216105

IUPAC4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide
SMILESCCC(=CCCc1ccc(OC(F)(F)F)cc1)CCC(N)=O
InChIInChI=1S/C16H20F3NO2/c1-2-12(8-11-15(20)21)4-3-5-13-6-9-14(10-7-13)22-16(17,18)19/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H2,20,21)
InChIKeyHDJODPCEUXMOIG-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.12
Rot. Bonds8

About 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide

4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide (PubChem CID 154216105) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide.

Molecular Properties

Compound Name4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide
PubChem CID154216105
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide
SMILESCCC(=CCCc1ccc(OC(F)(F)F)cc1)CCC(N)=O
InChIInChI=1S/C16H20F3NO2/c1-2-12(8-11-15(20)21)4-3-5-13-6-9-14(10-7-13)22-16(17,18)19/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H2,20,21)
InChIKeyHDJODPCEUXMOIG-UHFFFAOYSA-N
XLogP4.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
N-[7-(1,3-benzodioxol-5-yl)-4-ethylhept-4-enyl]-4-(trifluoromethoxy)benzamide
CID 154161914
16-[4-(trifluoromethoxy)phenyl]hexadecan-2-one
CID 70484420
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
3-ethyl-3-hydroxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 103446982
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
2-(aminomethyl)-4-ethyl-6-[4-(trifluoromethoxy)phenyl]hexanoic acid
CID 69268098
1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 53415502

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide?
The IUPAC name of 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide (CID 154216105) is 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide.
What is the SMILES notation for 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide?
The canonical SMILES for 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide is CCC(=CCCc1ccc(OC(F)(F)F)cc1)CCC(N)=O.
What is the InChIKey of 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide?
The InChIKey is HDJODPCEUXMOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-2-12(8-11-15(20)21)4-3-5-13-6-9-14(10-7-13)22-16(17,18)19/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H2,20,21).
What are the key properties of 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide?
4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide has a molecular weight of 315.34 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide is sourced from PubChem (CID 154216105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).