5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide

C9H18F2N2O — CID 82006526

IUPAC5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCC(F)F
InChIInChI=1S/C9H18F2N2O/c1-9(2,8(12)13)4-3-5-14-6-7(10)11/h7H,3-6H2,1-2H3,(H3,12,13)
InChIKeyYXGOEBFKPOBTFB-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.01
Rot. Bonds7

About 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide

5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide (PubChem CID 82006526) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide
PubChem CID82006526
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCC(F)F
InChIInChI=1S/C9H18F2N2O/c1-9(2,8(12)13)4-3-5-14-6-7(10)11/h7H,3-6H2,1-2H3,(H3,12,13)
InChIKeyYXGOEBFKPOBTFB-UHFFFAOYSA-N
XLogP2.01
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.01
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 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide (CID 82006526) is 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide?
The InChIKey is YXGOEBFKPOBTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-9(2,8(12)13)4-3-5-14-6-7(10)11/h7H,3-6H2,1-2H3,(H3,12,13).
What are the key properties of 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide?
5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide has a molecular weight of 208.25 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 82006526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).