2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide

C9H14F3NO2 — CID 118654194

IUPAC2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide
SMILESC[C@H]1C[C@H](NC(=O)C(F)(F)F)C[C@@H]1CO
InChIInChI=1S/C9H14F3NO2/c1-5-2-7(3-6(5)4-14)13-8(15)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)/t5-,6+,7-/m0/s1
InChIKeyASSSKUNFVJCZLY-XVMARJQXSA-N
MW225.21 g/mol
LogP1.07
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide

2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide (PubChem CID 118654194) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide
PubChem CID118654194
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide
SMILESC[C@H]1C[C@H](NC(=O)C(F)(F)F)C[C@@H]1CO
InChIInChI=1S/C9H14F3NO2/c1-5-2-7(3-6(5)4-14)13-8(15)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)/t5-,6+,7-/m0/s1
InChIKeyASSSKUNFVJCZLY-XVMARJQXSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide (CID 118654194) is 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide is C[C@H]1C[C@H](NC(=O)C(F)(F)F)C[C@@H]1CO.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide?
The InChIKey is ASSSKUNFVJCZLY-XVMARJQXSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-5-2-7(3-6(5)4-14)13-8(15)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)/t5-,6+,7-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide?
2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]acetamide is sourced from PubChem (CID 118654194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).