2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide

C9H17F3N2O — CID 65258748

IUPAC2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,7(13)14)4-3-5-15-6-9(10,11)12/h3-6H2,1-2H3,(H3,13,14)
InChIKeyPYFUNWAVNHTSSF-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.31
Rot. Bonds6

About 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide

2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide (PubChem CID 65258748) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide
PubChem CID65258748
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,7(13)14)4-3-5-15-6-9(10,11)12/h3-6H2,1-2H3,(H3,13,14)
InChIKeyPYFUNWAVNHTSSF-UHFFFAOYSA-N
XLogP2.31
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide (CID 65258748) is 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide?
The InChIKey is PYFUNWAVNHTSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(2,7(13)14)4-3-5-15-6-9(10,11)12/h3-6H2,1-2H3,(H3,13,14).
What are the key properties of 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide?
2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide has a molecular weight of 226.24 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide is sourced from PubChem (CID 65258748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).