2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide

C11H17F4NO — CID 135064226

IUPAC2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C1CCCC(F)C1
InChIInChI=1S/C11H17F4NO/c1-7(2)16(10(17)11(13,14)15)9-5-3-4-8(12)6-9/h7-9H,3-6H2,1-2H3
InChIKeyJHSIEQHMNPGLKW-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.07
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide

2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide (PubChem CID 135064226) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide
PubChem CID135064226
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C1CCCC(F)C1
InChIInChI=1S/C11H17F4NO/c1-7(2)16(10(17)11(13,14)15)9-5-3-4-8(12)6-9/h7-9H,3-6H2,1-2H3
InChIKeyJHSIEQHMNPGLKW-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide (CID 135064226) is 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)C(F)(F)F)C1CCCC(F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide?
The InChIKey is JHSIEQHMNPGLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-7(2)16(10(17)11(13,14)15)9-5-3-4-8(12)6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide?
2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide has a molecular weight of 255.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 135064226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).