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

C10H18F3NO — CID 546371

IUPACN-(2-ethylhexyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-5-6-8(4-2)7-14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeySHXDVRKLRBPZSH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds6

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

N-(2-ethylhexyl)-2,2,2-trifluoroacetamide (PubChem CID 546371) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,2,2-trifluoroacetamide
PubChem CID546371
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(2-ethylhexyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-5-6-8(4-2)7-14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeySHXDVRKLRBPZSH-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethylhexyl)-2,2,2-trifluoroacetamide (CID 546371) is N-(2-ethylhexyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethylhexyl)-2,2,2-trifluoroacetamide is CCCCC(CC)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethylhexyl)-2,2,2-trifluoroacetamide?
The InChIKey is SHXDVRKLRBPZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-5-6-8(4-2)7-14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethylhexyl)-2,2,2-trifluoroacetamide?
N-(2-ethylhexyl)-2,2,2-trifluoroacetamide has a molecular weight of 225.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 546371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).