N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide

C12H15F3N2O — CID 86685401

IUPACN'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide
SMILESCCC/C(N)=N\c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-2-3-11(16)17-9-4-6-10(7-5-9)18-8-12(13,14)15/h4-7H,2-3,8H2,1H3,(H2,16,17)
InChIKeySUYPYDKUKPZWMN-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.42
Rot. Bonds5

About N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide

N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide (PubChem CID 86685401) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide.

Molecular Properties

Compound NameN'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide
PubChem CID86685401
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide
SMILESCCC/C(N)=N\c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-2-3-11(16)17-9-4-6-10(7-5-9)18-8-12(13,14)15/h4-7H,2-3,8H2,1H3,(H2,16,17)
InChIKeySUYPYDKUKPZWMN-UHFFFAOYSA-N
XLogP3.42
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide?
The IUPAC name of N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide (CID 86685401) is N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide.
What is the SMILES notation for N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide?
The canonical SMILES for N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide is CCC/C(N)=N\c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide?
The InChIKey is SUYPYDKUKPZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-3-11(16)17-9-4-6-10(7-5-9)18-8-12(13,14)15/h4-7H,2-3,8H2,1H3,(H2,16,17).
What are the key properties of N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide?
N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide has a molecular weight of 260.26 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide is sourced from PubChem (CID 86685401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).