N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide

C11H13F6NO2 — CID 5248626

IUPACN-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide
SMILESO=C(NC1CCCCC1)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO2/c12-10(13,14)8(11(15,16)17)7(19)9(20)18-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,18,20)
InChIKeyZAASYKGRWNCHGC-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.75
Rot. Bonds3

About N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide

N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide (PubChem CID 5248626) has the molecular formula C11H13F6NO2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide
PubChem CID5248626
Molecular FormulaC11H13F6NO2
Molecular Weight305.22 g/mol
Exact Mass305.09
IUPAC NameN-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide
SMILESO=C(NC1CCCCC1)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO2/c12-10(13,14)8(11(15,16)17)7(19)9(20)18-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,18,20)
InChIKeyZAASYKGRWNCHGC-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide?
The IUPAC name of N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide (CID 5248626) is N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide.
What is the SMILES notation for N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide?
The canonical SMILES for N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide is O=C(NC1CCCCC1)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide?
The InChIKey is ZAASYKGRWNCHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6NO2/c12-10(13,14)8(11(15,16)17)7(19)9(20)18-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,18,20).
What are the key properties of N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide?
N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide has a molecular weight of 305.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 5248626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).