2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide

C11H21F3N2O — CID 106712459

IUPAC2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(11(12,13)14)17-7-5-4-6-10(2,3)9(15)16/h8H,4-7H2,1-3H3,(H3,15,16)
InChIKeyDMVZXCMFTROQPF-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.09
Rot. Bonds7

About 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide

2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide (PubChem CID 106712459) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
PubChem CID106712459
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(11(12,13)14)17-7-5-4-6-10(2,3)9(15)16/h8H,4-7H2,1-3H3,(H3,15,16)
InChIKeyDMVZXCMFTROQPF-UHFFFAOYSA-N
XLogP3.09
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.09
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-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide (CID 106712459) is 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOC(C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
The InChIKey is DMVZXCMFTROQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(11(12,13)14)17-7-5-4-6-10(2,3)9(15)16/h8H,4-7H2,1-3H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide has a molecular weight of 254.30 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide is sourced from PubChem (CID 106712459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).