5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide

C10H16F6N2O — CID 102722360

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N2O/c1-8(2,7(17)18)4-3-5-19-6(9(11,12)13)10(14,15)16/h6H,3-5H2,1-2H3,(H3,17,18)
InChIKeyWXKYTSQZKPCLSR-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.24
Rot. Bonds6

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide (PubChem CID 102722360) has the molecular formula C10H16F6N2O and a molecular weight of 294.24 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide
PubChem CID102722360
Molecular FormulaC10H16F6N2O
Molecular Weight294.24 g/mol
Exact Mass294.12
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N2O/c1-8(2,7(17)18)4-3-5-19-6(9(11,12)13)10(14,15)16/h6H,3-5H2,1-2H3,(H3,17,18)
InChIKeyWXKYTSQZKPCLSR-UHFFFAOYSA-N
XLogP3.24
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.24
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

2,2-Dimethyl-5-(2,2,2-trifluoroethoxy)pentanimidamide
CID 65258748
2,2-Dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
CID 66274816
2,2-Dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
CID 66275036
N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
CID 77102472
5-(2,2-Difluoroethoxy)-2,2-dimethylpentanimidamide
CID 82006526
2,2-Dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide
CID 82788258
2,2-Dimethyl-5-(3,3,3-trifluoropropoxy)pentanimidamide
CID 82955101
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 102722304
2,2-Dimethyl-6-(2,2,2-trifluoroethoxy)hexanimidamide
CID 106712308
2,2-Dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide
CID 106712373
2,2-Dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
CID 106712459
2,2-Dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide
CID 106712461

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide (CID 102722360) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide?
The InChIKey is WXKYTSQZKPCLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O/c1-8(2,7(17)18)4-3-5-19-6(9(11,12)13)10(14,15)16/h6H,3-5H2,1-2H3,(H3,17,18).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide has a molecular weight of 294.24 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 102722360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).