2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide

C8H11F4NO — CID 89417106

IUPAC2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CC[C@@H](F)C1
InChIInChI=1S/C8H11F4NO/c1-13(7(14)8(10,11)12)6-3-2-5(9)4-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySSBMUUHYZCSYHS-PHDIDXHHSA-N
MW213.17 g/mol
LogP1.90
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide

2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide (PubChem CID 89417106) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide
PubChem CID89417106
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CC[C@@H](F)C1
InChIInChI=1S/C8H11F4NO/c1-13(7(14)8(10,11)12)6-3-2-5(9)4-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySSBMUUHYZCSYHS-PHDIDXHHSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
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
2,2,2-Trifluoro-1-(cis-4-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827917
2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide
CID 135064226
2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide
CID 135080386
2,2,2-trifluoro-N-[(1S,3S)-3-fluorocyclohexyl]-N-propan-2-ylacetamide
CID 177852011
Trifluoroacetamide, N-isopropyl-N-propyl-
CID 539385
2,5-Dimethyl-1-trifluoroacetylpyrrolidine
CID 549218
2,5-Dimethyl-1-heptafluorobutyryloxypyrrolidine
CID 549235

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide (CID 89417106) is 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide is CN(C(=O)C(F)(F)F)[C@@H]1CC[C@@H](F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide?
The InChIKey is SSBMUUHYZCSYHS-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-13(7(14)8(10,11)12)6-3-2-5(9)4-6/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide?
2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide has a molecular weight of 213.17 g/mol, XLogP of 1.90, 1 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-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide is sourced from PubChem (CID 89417106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).