2,2,2-trifluoro-N,N-dihexylethanimidamide

C14H27F3N2 — CID 72942564

IUPAC2,2,2-trifluoro-N,N-dihexylethanimidamide
SMILES[H]/N=C(\N(CCCCCC)CCCCCC)C(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-3-5-7-9-11-19(12-10-8-6-4-2)13(18)14(15,16)17/h18H,3-12H2,1-2H3/b18-13-
InChIKeyNAYQIMNFOOMRJC-AQTBWJFISA-N
MW280.38 g/mol
LogP4.99
Rot. Bonds10

About 2,2,2-trifluoro-N,N-dihexylethanimidamide

2,2,2-trifluoro-N,N-dihexylethanimidamide (PubChem CID 72942564) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dihexylethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dihexylethanimidamide
PubChem CID72942564
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2,2,2-trifluoro-N,N-dihexylethanimidamide
SMILES[H]/N=C(\N(CCCCCC)CCCCCC)C(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-3-5-7-9-11-19(12-10-8-6-4-2)13(18)14(15,16)17/h18H,3-12H2,1-2H3/b18-13-
InChIKeyNAYQIMNFOOMRJC-AQTBWJFISA-N
XLogP4.99
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoro-N,N-dihexylethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N,N-dihexylethanimidamide (CID 72942564) is 2,2,2-trifluoro-N,N-dihexylethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dihexylethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-dihexylethanimidamide is [H]/N=C(\N(CCCCCC)CCCCCC)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dihexylethanimidamide?
The InChIKey is NAYQIMNFOOMRJC-AQTBWJFISA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-5-7-9-11-19(12-10-8-6-4-2)13(18)14(15,16)17/h18H,3-12H2,1-2H3/b18-13-.
What are the key properties of 2,2,2-trifluoro-N,N-dihexylethanimidamide?
2,2,2-trifluoro-N,N-dihexylethanimidamide has a molecular weight of 280.38 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dihexylethanimidamide is sourced from PubChem (CID 72942564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).