1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C10H16F3NO2 — CID 148516658

IUPAC1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCO[C@H](C)[C@@H]1C[C@@H](C(F)(F)F)CN1C(C)=O
InChIInChI=1S/C10H16F3NO2/c1-6(16-3)9-4-8(10(11,12)13)5-14(9)7(2)15/h6,8-9H,4-5H2,1-3H3/t6-,8-,9+/m1/s1
InChIKeyMNOPYBMJUIPNLG-VDAHYXPESA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds2

About 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone

1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 148516658) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID148516658
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCO[C@H](C)[C@@H]1C[C@@H](C(F)(F)F)CN1C(C)=O
InChIInChI=1S/C10H16F3NO2/c1-6(16-3)9-4-8(10(11,12)13)5-14(9)7(2)15/h6,8-9H,4-5H2,1-3H3/t6-,8-,9+/m1/s1
InChIKeyMNOPYBMJUIPNLG-VDAHYXPESA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 148516658) is 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone is CO[C@H](C)[C@@H]1C[C@@H](C(F)(F)F)CN1C(C)=O.
What is the InChIKey of 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MNOPYBMJUIPNLG-VDAHYXPESA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6(16-3)9-4-8(10(11,12)13)5-14(9)7(2)15/h6,8-9H,4-5H2,1-3H3/t6-,8-,9+/m1/s1.
What are the key properties of 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-[(1R)-1-methoxyethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 148516658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).