(3S)-3-(difluoromethoxy)pyrrolidine

C5H9F2NO — CID 97300414

IUPAC(3S)-3-(difluoromethoxy)pyrrolidine
SMILESFC(F)O[C@H]1CCNC1
InChIInChI=1S/C5H9F2NO/c6-5(7)9-4-1-2-8-3-4/h4-5,8H,1-3H2/t4-/m0/s1
InChIKeyCENPMZAOUBNUCY-BYPYZUCNSA-N
MW137.13 g/mol
LogP0.59
Rot. Bonds2

About (3S)-3-(difluoromethoxy)pyrrolidine

(3S)-3-(difluoromethoxy)pyrrolidine (PubChem CID 97300414) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (3S)-3-(difluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(difluoromethoxy)pyrrolidine
PubChem CID97300414
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(3S)-3-(difluoromethoxy)pyrrolidine
SMILESFC(F)O[C@H]1CCNC1
InChIInChI=1S/C5H9F2NO/c6-5(7)9-4-1-2-8-3-4/h4-5,8H,1-3H2/t4-/m0/s1
InChIKeyCENPMZAOUBNUCY-BYPYZUCNSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethoxy)pyrrolidine?
The IUPAC name of (3S)-3-(difluoromethoxy)pyrrolidine (CID 97300414) is (3S)-3-(difluoromethoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(difluoromethoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(difluoromethoxy)pyrrolidine is FC(F)O[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(difluoromethoxy)pyrrolidine?
The InChIKey is CENPMZAOUBNUCY-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)9-4-1-2-8-3-4/h4-5,8H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-(difluoromethoxy)pyrrolidine?
(3S)-3-(difluoromethoxy)pyrrolidine has a molecular weight of 137.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethoxy)pyrrolidine is sourced from PubChem (CID 97300414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).