(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine

C11H10F5NO2 — CID 170709406

IUPAC(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine
SMILESFc1ccc(O[C@H]2CNCC2(F)F)cc1OC(F)F
InChIInChI=1S/C11H10F5NO2/c12-7-2-1-6(3-8(7)19-10(13)14)18-9-4-17-5-11(9,15)16/h1-3,9-10,17H,4-5H2/t9-/m0/s1
InChIKeyAINCIPSRJMZZEJ-VIFPVBQESA-N
MW283.20 g/mol
LogP2.41
Rot. Bonds4

About (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine

(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine (PubChem CID 170709406) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine
PubChem CID170709406
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Name(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine
SMILESFc1ccc(O[C@H]2CNCC2(F)F)cc1OC(F)F
InChIInChI=1S/C11H10F5NO2/c12-7-2-1-6(3-8(7)19-10(13)14)18-9-4-17-5-11(9,15)16/h1-3,9-10,17H,4-5H2/t9-/m0/s1
InChIKeyAINCIPSRJMZZEJ-VIFPVBQESA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine?
The IUPAC name of (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine (CID 170709406) is (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine.
What is the SMILES notation for (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine?
The canonical SMILES for (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine is Fc1ccc(O[C@H]2CNCC2(F)F)cc1OC(F)F.
What is the InChIKey of (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine?
The InChIKey is AINCIPSRJMZZEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F5NO2/c12-7-2-1-6(3-8(7)19-10(13)14)18-9-4-17-5-11(9,15)16/h1-3,9-10,17H,4-5H2/t9-/m0/s1.
What are the key properties of (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine?
(4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine has a molecular weight of 283.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(difluoromethoxy)-4-fluorophenoxy]-3,3-difluoropyrrolidine is sourced from PubChem (CID 170709406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).