2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide

C11H16F3NO — CID 118894918

IUPAC2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO/c1-7(2)10(16)15-9-5-3-8(4-6-9)11(12,13)14/h8-9H,1,3-6H2,2H3,(H,15,16)
InChIKeyGUIGURIAFRJJEE-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide (PubChem CID 118894918) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
PubChem CID118894918
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO/c1-7(2)10(16)15-9-5-3-8(4-6-9)11(12,13)14/h8-9H,1,3-6H2,2H3,(H,15,16)
InChIKeyGUIGURIAFRJJEE-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide (CID 118894918) is 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide is C=C(C)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The InChIKey is GUIGURIAFRJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-7(2)10(16)15-9-5-3-8(4-6-9)11(12,13)14/h8-9H,1,3-6H2,2H3,(H,15,16).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide has a molecular weight of 235.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 118894918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).