N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide

C18H26F3NO — CID 171986854

IUPACN-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCc1c(C(C)C)cc(C(C)C)c(CC)c1NC(=O)C(F)(F)F
InChIInChI=1S/C18H26F3NO/c1-7-12-14(10(3)4)9-15(11(5)6)13(8-2)16(12)22-17(23)18(19,20)21/h9-11H,7-8H2,1-6H3,(H,22,23)
InChIKeyZBPCJOAKJMEKIS-UHFFFAOYSA-N
MW329.41 g/mol
LogP5.56
Rot. Bonds5

About N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide

N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 171986854) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID171986854
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCc1c(C(C)C)cc(C(C)C)c(CC)c1NC(=O)C(F)(F)F
InChIInChI=1S/C18H26F3NO/c1-7-12-14(10(3)4)9-15(11(5)6)13(8-2)16(12)22-17(23)18(19,20)21/h9-11H,7-8H2,1-6H3,(H,22,23)
InChIKeyZBPCJOAKJMEKIS-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 171986854) is N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide is CCc1c(C(C)C)cc(C(C)C)c(CC)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZBPCJOAKJMEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-7-12-14(10(3)4)9-15(11(5)6)13(8-2)16(12)22-17(23)18(19,20)21/h9-11H,7-8H2,1-6H3,(H,22,23).
What are the key properties of N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 329.41 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-diethyl-3,5-di(propan-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171986854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).