N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide

C16H20F6N2O — CID 57379021

IUPACN-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(OCC(F)(F)C(F)C(F)(F)F)cc1C
InChIInChI=1S/C16H20F6N2O/c1-5-24(4)9-23-12-6-11(3)13(7-10(12)2)25-8-15(18,19)14(17)16(20,21)22/h6-7,9,14H,5,8H2,1-4H3/b23-9+
InChIKeyQXZYAKJZKLLBIT-NUGSKGIGSA-N
MW370.34 g/mol
LogP4.83
Rot. Bonds7

About N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 57379021) has the molecular formula C16H20F6N2O and a molecular weight of 370.34 g/mol. Its IUPAC name is N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID57379021
Molecular FormulaC16H20F6N2O
Molecular Weight370.34 g/mol
Exact Mass370.15
IUPAC NameN-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(OCC(F)(F)C(F)C(F)(F)F)cc1C
InChIInChI=1S/C16H20F6N2O/c1-5-24(4)9-23-12-6-11(3)13(7-10(12)2)25-8-15(18,19)14(17)16(20,21)22/h6-7,9,14H,5,8H2,1-4H3/b23-9+
InChIKeyQXZYAKJZKLLBIT-NUGSKGIGSA-N
XLogP4.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 57379021) is N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(OCC(F)(F)C(F)C(F)(F)F)cc1C.
What is the InChIKey of N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is QXZYAKJZKLLBIT-NUGSKGIGSA-N. The full InChI is InChI=1S/C16H20F6N2O/c1-5-24(4)9-23-12-6-11(3)13(7-10(12)2)25-8-15(18,19)14(17)16(20,21)22/h6-7,9,14H,5,8H2,1-4H3/b23-9+.
What are the key properties of N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 370.34 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 57379021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).