2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide

C11H21F3N2O — CID 82788258

IUPAC2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-10(2,9(15)16)5-3-7-17-8-4-6-11(12,13)14/h3-8H2,1-2H3,(H3,15,16)
InChIKeyBRBIYFFCABVREL-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.09
Rot. Bonds8

About 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide

2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide (PubChem CID 82788258) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide
PubChem CID82788258
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-10(2,9(15)16)5-3-7-17-8-4-6-11(12,13)14/h3-8H2,1-2H3,(H3,15,16)
InChIKeyBRBIYFFCABVREL-UHFFFAOYSA-N
XLogP3.09
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

2,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexanimidamide
CID 106712308
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanimidamide
CID 106712482
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
2,2-dimethyloctanimidamide
CID 58158153
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
2,2-dimethyl-5-pentan-2-yloxypentanimidamide
CID 102982171
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 65252580
5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
CID 65258590
2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propanoic acid
CID 82788319
2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65258029
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide (CID 82788258) is 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCOCCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide?
The InChIKey is BRBIYFFCABVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(2,9(15)16)5-3-7-17-8-4-6-11(12,13)14/h3-8H2,1-2H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide?
2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide has a molecular weight of 254.30 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide is sourced from PubChem (CID 82788258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).