2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide

C10H19F3N2O — CID 82955101

IUPAC2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,8(14)15)4-3-6-16-7-5-10(11,12)13/h3-7H2,1-2H3,(H3,14,15)
InChIKeyIEJGYEHVZVLXSI-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.70
Rot. Bonds7

About 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide

2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide (PubChem CID 82955101) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide
PubChem CID82955101
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,8(14)15)4-3-6-16-7-5-10(11,12)13/h3-7H2,1-2H3,(H3,14,15)
InChIKeyIEJGYEHVZVLXSI-UHFFFAOYSA-N
XLogP2.70
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.70
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-(3,3,3-trifluoropropoxy)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide (CID 82955101) is 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCOCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide?
The InChIKey is IEJGYEHVZVLXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2,8(14)15)4-3-6-16-7-5-10(11,12)13/h3-7H2,1-2H3,(H3,14,15).
What are the key properties of 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide?
2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide has a molecular weight of 240.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide is sourced from PubChem (CID 82955101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).