N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide

C11H15ClF3NO2 — CID 104700990

IUPACN-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide
SMILESO=C(CCl)C(NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15ClF3NO2/c12-6-8(17)9(7-4-2-1-3-5-7)16-10(18)11(13,14)15/h7,9H,1-6H2,(H,16,18)
InChIKeyKDXFTSCAJWXCRG-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.42
Rot. Bonds4

About N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide

N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide (PubChem CID 104700990) has the molecular formula C11H15ClF3NO2 and a molecular weight of 285.69 g/mol. Its IUPAC name is N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide
PubChem CID104700990
Molecular FormulaC11H15ClF3NO2
Molecular Weight285.69 g/mol
Exact Mass285.07
IUPAC NameN-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide
SMILESO=C(CCl)C(NC(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H15ClF3NO2/c12-6-8(17)9(7-4-2-1-3-5-7)16-10(18)11(13,14)15/h7,9H,1-6H2,(H,16,18)
InChIKeyKDXFTSCAJWXCRG-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide (CID 104700990) is N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide is O=C(CCl)C(NC(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide?
The InChIKey is KDXFTSCAJWXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3NO2/c12-6-8(17)9(7-4-2-1-3-5-7)16-10(18)11(13,14)15/h7,9H,1-6H2,(H,16,18).
What are the key properties of N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide?
N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide has a molecular weight of 285.69 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-cyclohexyl-2-oxopropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 104700990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).