N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide

C10H14F6N2 — CID 90084221

IUPACN'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide
SMILESCC/N=C(/N/C(=C(\C)CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2/c1-4-6(3)7(9(11,12)13)18-8(17-5-2)10(14,15)16/h4-5H2,1-3H3,(H,17,18)/b7-6+
InChIKeySIBRGDLKCMEXFB-VOTSOKGWSA-N
MW276.22 g/mol
LogP3.80
Rot. Bonds3

About N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide

N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide (PubChem CID 90084221) has the molecular formula C10H14F6N2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide
PubChem CID90084221
Molecular FormulaC10H14F6N2
Molecular Weight276.22 g/mol
Exact Mass276.11
IUPAC NameN'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide
SMILESCC/N=C(/N/C(=C(\C)CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2/c1-4-6(3)7(9(11,12)13)18-8(17-5-2)10(14,15)16/h4-5H2,1-3H3,(H,17,18)/b7-6+
InChIKeySIBRGDLKCMEXFB-VOTSOKGWSA-N
XLogP3.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide (CID 90084221) is N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide is CC/N=C(/N/C(=C(\C)CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide?
The InChIKey is SIBRGDLKCMEXFB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H14F6N2/c1-4-6(3)7(9(11,12)13)18-8(17-5-2)10(14,15)16/h4-5H2,1-3H3,(H,17,18)/b7-6+.
What are the key properties of N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide?
N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide has a molecular weight of 276.22 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2,2-trifluoro-N-[(E)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 90084221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).