5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine

C13H14F3NO — CID 162538657

IUPAC5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine
SMILES[H]/N=C(\C=CCCOC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h2,4-8,17H,3,9H2,1H3/b4-2?,17-12+
InChIKeyPFZRRKOFLPCRCF-IOOXTFATSA-N
MW257.25 g/mol
LogP3.67
Rot. Bonds5

About 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine

5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine (PubChem CID 162538657) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine.

Molecular Properties

Compound Name5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine
PubChem CID162538657
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine
SMILES[H]/N=C(\C=CCCOC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h2,4-8,17H,3,9H2,1H3/b4-2?,17-12+
InChIKeyPFZRRKOFLPCRCF-IOOXTFATSA-N
XLogP3.67
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
(Z)-[[4-[bis(2-methoxyethyl)amino]phenyl]-[4-(trifluoromethyl)phenyl]methylidene]-iminoazanium
CID 162510666
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
2,2-dimethoxy-1,3-bis[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 11560797
3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
CID 173382294
ethane;1-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]-4-(trifluoromethyl)benzene;N-methylmethanamine
CID 142535486
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
acetic acid;4-(trifluoromethyl)benzenecarboximidamide
CID 67344222
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
1-(2-bromo-4-methoxybutyl)-4-(trifluoromethyl)benzene
CID 63018737
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine?
The IUPAC name of 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine (CID 162538657) is 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine.
What is the SMILES notation for 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine?
The canonical SMILES for 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine is [H]/N=C(\C=CCCOC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine?
The InChIKey is PFZRRKOFLPCRCF-IOOXTFATSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h2,4-8,17H,3,9H2,1H3/b4-2?,17-12+.
What are the key properties of 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine?
5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine has a molecular weight of 257.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-imine is sourced from PubChem (CID 162538657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).