2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide

C11H17F4NO — CID 135080386

IUPAC2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C1CCC(F)CC1
InChIInChI=1S/C11H17F4NO/c1-7(2)16(10(17)11(13,14)15)9-5-3-8(12)4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyRXHOFAQKWNESAZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.07
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide

2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide (PubChem CID 135080386) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide
PubChem CID135080386
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C1CCC(F)CC1
InChIInChI=1S/C11H17F4NO/c1-7(2)16(10(17)11(13,14)15)9-5-3-8(12)4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyRXHOFAQKWNESAZ-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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Related Compounds

N,N-Dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 544022
Acetamide, N-cyclohexyl-N-methyl-
CID 243970
N-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide
CID 89417106
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
N-Cyclohexyl-N-ethylacetamide
CID 558465
Pentafluoropropanamide, N,N-dihexyl-
CID 533201
N,N-Dicyclohexyl-2,2,2-trifluoroacetamide
CID 543477
N-cyclohexyl-2,2,2-trifluoro-N-propan-2-ylacetamide
CID 125502413
2,2,2-Trifluoro-1-(cis-4-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827917

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide (CID 135080386) is 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)C(F)(F)F)C1CCC(F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide?
The InChIKey is RXHOFAQKWNESAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-7(2)16(10(17)11(13,14)15)9-5-3-8(12)4-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide?
2,2,2-trifluoro-N-(4-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-(4-fluorocyclohexyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 135080386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).