5-[4-(trifluoromethyl)phenoxy]pentanimidamide

C12H15F3N2O — CID 54966069

IUPAC5-[4-(trifluoromethyl)phenoxy]pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-6-10(7-5-9)18-8-2-1-3-11(16)17/h4-7H,1-3,8H2,(H3,16,17)
InChIKeyPDLUPXJZSVCFOG-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.19
Rot. Bonds6

About 5-[4-(trifluoromethyl)phenoxy]pentanimidamide

5-[4-(trifluoromethyl)phenoxy]pentanimidamide (PubChem CID 54966069) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenoxy]pentanimidamide.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenoxy]pentanimidamide
PubChem CID54966069
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-[4-(trifluoromethyl)phenoxy]pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-6-10(7-5-9)18-8-2-1-3-11(16)17/h4-7H,1-3,8H2,(H3,16,17)
InChIKeyPDLUPXJZSVCFOG-UHFFFAOYSA-N
XLogP3.19
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[4-(trifluoromethyl)phenoxy]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(trifluoromethyl)phenoxy]pentanethioamide
CID 54966496
5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-[4-(trifluoromethoxy)phenoxy]ethanimidamide
CID 83396669
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
4,4-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenoxy]hept-2-ynamide
CID 91156265

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenoxy]pentanimidamide?
The IUPAC name of 5-[4-(trifluoromethyl)phenoxy]pentanimidamide (CID 54966069) is 5-[4-(trifluoromethyl)phenoxy]pentanimidamide.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenoxy]pentanimidamide?
The canonical SMILES for 5-[4-(trifluoromethyl)phenoxy]pentanimidamide is [H]/N=C(\N)CCCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenoxy]pentanimidamide?
The InChIKey is PDLUPXJZSVCFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-4-6-10(7-5-9)18-8-2-1-3-11(16)17/h4-7H,1-3,8H2,(H3,16,17).
What are the key properties of 5-[4-(trifluoromethyl)phenoxy]pentanimidamide?
5-[4-(trifluoromethyl)phenoxy]pentanimidamide has a molecular weight of 260.26 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenoxy]pentanimidamide is sourced from PubChem (CID 54966069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).