3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide

C10H14F3NO3 — CID 167923288

IUPAC3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide
SMILESCC(O)(C(=O)N[C@@H]1C=C[C@H](CO)C1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-9(17,10(11,12)13)8(16)14-7-3-2-6(4-7)5-15/h2-3,6-7,15,17H,4-5H2,1H3,(H,14,16)/t6-,7+,9?/m0/s1
InChIKeySOMYYRVETOLWOR-PMDVUHRTSA-N
MW253.22 g/mol
LogP0.35
Rot. Bonds3

About 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide

3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide (PubChem CID 167923288) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide
PubChem CID167923288
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide
SMILESCC(O)(C(=O)N[C@@H]1C=C[C@H](CO)C1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-9(17,10(11,12)13)8(16)14-7-3-2-6(4-7)5-15/h2-3,6-7,15,17H,4-5H2,1H3,(H,14,16)/t6-,7+,9?/m0/s1
InChIKeySOMYYRVETOLWOR-PMDVUHRTSA-N
XLogP0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide (CID 167923288) is 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide is CC(O)(C(=O)N[C@@H]1C=C[C@H](CO)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide?
The InChIKey is SOMYYRVETOLWOR-PMDVUHRTSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-9(17,10(11,12)13)8(16)14-7-3-2-6(4-7)5-15/h2-3,6-7,15,17H,4-5H2,1H3,(H,14,16)/t6-,7+,9?/m0/s1.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide?
3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide has a molecular weight of 253.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide is sourced from PubChem (CID 167923288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).