N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C10H16F4N2O3 — CID 122561321

IUPACN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N2O3/c1-18-7-3-15-2-6(7)16-8(17)4-19-5-10(13,14)9(11)12/h6-7,9,15H,2-5H2,1H3,(H,16,17)/t6-,7-/m0/s1
InChIKeyLTUDCIVHVRTGNG-BQBZGAKWSA-N
MW288.24 g/mol
LogP0.01
Rot. Bonds7

About N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 122561321) has the molecular formula C10H16F4N2O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID122561321
Molecular FormulaC10H16F4N2O3
Molecular Weight288.24 g/mol
Exact Mass288.11
IUPAC NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N2O3/c1-18-7-3-15-2-6(7)16-8(17)4-19-5-10(13,14)9(11)12/h6-7,9,15H,2-5H2,1H3,(H,16,17)/t6-,7-/m0/s1
InChIKeyLTUDCIVHVRTGNG-BQBZGAKWSA-N
XLogP0.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 122561321) is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is CO[C@H]1CNC[C@@H]1NC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is LTUDCIVHVRTGNG-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H16F4N2O3/c1-18-7-3-15-2-6(7)16-8(17)4-19-5-10(13,14)9(11)12/h6-7,9,15H,2-5H2,1H3,(H,16,17)/t6-,7-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 288.24 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 122561321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).