N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide

C16H24F3NO — CID 90693715

IUPACN-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
SMILESCC1=C(C(C)C)C(C)C(NC(=O)C(F)(F)F)C=C1C(C)C
InChIInChI=1S/C16H24F3NO/c1-8(2)12-7-13(20-15(21)16(17,18)19)11(6)14(9(3)4)10(12)5/h7-9,11,13H,1-6H3,(H,20,21)
InChIKeyVXUUVHVTQINATL-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.24
Rot. Bonds3

About N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide

N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide (PubChem CID 90693715) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
PubChem CID90693715
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
SMILESCC1=C(C(C)C)C(C)C(NC(=O)C(F)(F)F)C=C1C(C)C
InChIInChI=1S/C16H24F3NO/c1-8(2)12-7-13(20-15(21)16(17,18)19)11(6)14(9(3)4)10(12)5/h7-9,11,13H,1-6H3,(H,20,21)
InChIKeyVXUUVHVTQINATL-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide (CID 90693715) is N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide is CC1=C(C(C)C)C(C)C(NC(=O)C(F)(F)F)C=C1C(C)C.
What is the InChIKey of N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VXUUVHVTQINATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-8(2)12-7-13(20-15(21)16(17,18)19)11(6)14(9(3)4)10(12)5/h7-9,11,13H,1-6H3,(H,20,21).
What are the key properties of N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide?
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide has a molecular weight of 303.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90693715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).