N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide

C11H16F3NO — CID 112727077

IUPACN-[4-(trifluoromethyl)cyclohexyl]but-2-enamide
SMILESCC=CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO/c1-2-3-10(16)15-9-6-4-8(5-7-9)11(12,13)14/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyFIOWBVMWZCSHSS-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds2

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

N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide (PubChem CID 112727077) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]but-2-enamide
PubChem CID112727077
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]but-2-enamide
SMILESCC=CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO/c1-2-3-10(16)15-9-6-4-8(5-7-9)11(12,13)14/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyFIOWBVMWZCSHSS-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 N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide (CID 112727077) is N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide is CC=CC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide?
The InChIKey is FIOWBVMWZCSHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-3-10(16)15-9-6-4-8(5-7-9)11(12,13)14/h2-3,8-9H,4-7H2,1H3,(H,15,16).
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide?
N-[4-(trifluoromethyl)cyclohexyl]but-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 N-[4-(trifluoromethyl)cyclohexyl]but-2-enamide is sourced from PubChem (CID 112727077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).