N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide

C18H34F3NO — CID 587630

IUPACN,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)F
InChIInChI=1S/C18H34F3NO/c1-5-9-11-15(7-3)13-22(17(23)18(19,20)21)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyXAEAFEFUXZYGIS-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.81
Rot. Bonds12

About N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide

N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide (PubChem CID 587630) has the molecular formula C18H34F3NO and a molecular weight of 337.47 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide
PubChem CID587630
Molecular FormulaC18H34F3NO
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC NameN,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)F
InChIInChI=1S/C18H34F3NO/c1-5-9-11-15(7-3)13-22(17(23)18(19,20)21)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyXAEAFEFUXZYGIS-UHFFFAOYSA-N
XLogP5.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide (CID 587630) is N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide?
The InChIKey is XAEAFEFUXZYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F3NO/c1-5-9-11-15(7-3)13-22(17(23)18(19,20)21)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide?
N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide has a molecular weight of 337.47 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 587630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).