[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate

C8H10F5NO3 — CID 166826632

IUPAC[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate
SMILESCN1C[C@H](OC(=O)OCC(F)(F)F)C(F)(F)C1
InChIInChI=1S/C8H10F5NO3/c1-14-2-5(7(9,10)3-14)17-6(15)16-4-8(11,12)13/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyHJXZQKLIKWCZSA-YFKPBYRVSA-N
MW263.16 g/mol
LogP1.65
Rot. Bonds2

About [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate

[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate (PubChem CID 166826632) has the molecular formula C8H10F5NO3 and a molecular weight of 263.16 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate
PubChem CID166826632
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Name[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate
SMILESCN1C[C@H](OC(=O)OCC(F)(F)F)C(F)(F)C1
InChIInChI=1S/C8H10F5NO3/c1-14-2-5(7(9,10)3-14)17-6(15)16-4-8(11,12)13/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyHJXZQKLIKWCZSA-YFKPBYRVSA-N
XLogP1.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate?
The IUPAC name of [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate (CID 166826632) is [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate is CN1C[C@H](OC(=O)OCC(F)(F)F)C(F)(F)C1.
What is the InChIKey of [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate?
The InChIKey is HJXZQKLIKWCZSA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F5NO3/c1-14-2-5(7(9,10)3-14)17-6(15)16-4-8(11,12)13/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate?
[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate has a molecular weight of 263.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl] 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 166826632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).