5-[2-(trifluoromethyl)phenoxy]pentanimidamide

C12H15F3N2O — CID 54965748

IUPAC5-[2-(trifluoromethyl)phenoxy]pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-5-1-2-6-10(9)18-8-4-3-7-11(16)17/h1-2,5-6H,3-4,7-8H2,(H3,16,17)
InChIKeyAWUNXYNRGKTMIP-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.19
Rot. Bonds6

About 5-[2-(trifluoromethyl)phenoxy]pentanimidamide

5-[2-(trifluoromethyl)phenoxy]pentanimidamide (PubChem CID 54965748) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenoxy]pentanimidamide.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenoxy]pentanimidamide
PubChem CID54965748
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-[2-(trifluoromethyl)phenoxy]pentanimidamide
SMILES[H]/N=C(\N)CCCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-5-1-2-6-10(9)18-8-4-3-7-11(16)17/h1-2,5-6H,3-4,7-8H2,(H3,16,17)
InChIKeyAWUNXYNRGKTMIP-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'}

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Related Compounds

4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
5-[4-(trifluoromethyl)phenoxy]pentanimidamide
CID 54966069
5-(3-chloro-2-fluorophenoxy)pentanimidamide
CID 116689239
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111107570
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 66337646
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenoxy]pentanimidamide?
The IUPAC name of 5-[2-(trifluoromethyl)phenoxy]pentanimidamide (CID 54965748) is 5-[2-(trifluoromethyl)phenoxy]pentanimidamide.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenoxy]pentanimidamide?
The canonical SMILES for 5-[2-(trifluoromethyl)phenoxy]pentanimidamide is [H]/N=C(\N)CCCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethyl)phenoxy]pentanimidamide?
The InChIKey is AWUNXYNRGKTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-5-1-2-6-10(9)18-8-4-3-7-11(16)17/h1-2,5-6H,3-4,7-8H2,(H3,16,17).
What are the key properties of 5-[2-(trifluoromethyl)phenoxy]pentanimidamide?
5-[2-(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-[2-(trifluoromethyl)phenoxy]pentanimidamide is sourced from PubChem (CID 54965748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).