(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine

C9H17F2NO — CID 118551806

IUPAC(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@H]1CCN(CC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)13-8-3-4-12(5-8)6-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQKXULGANOQVNDE-QMMMGPOBSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds4

About (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine

(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine (PubChem CID 118551806) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine
PubChem CID118551806
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@H]1CCN(CC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)13-8-3-4-12(5-8)6-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQKXULGANOQVNDE-QMMMGPOBSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine?
The IUPAC name of (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine (CID 118551806) is (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine?
The canonical SMILES for (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine is CC(C)O[C@H]1CCN(CC(F)F)C1.
What is the InChIKey of (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine?
The InChIKey is QKXULGANOQVNDE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)13-8-3-4-12(5-8)6-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine?
(3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-difluoroethyl)-3-propan-2-yloxypyrrolidine is sourced from PubChem (CID 118551806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).