(3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine

C8H16FNO — CID 139364402

IUPAC(3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@]1(F)CCN(C)C1
InChIInChI=1S/C8H16FNO/c1-7(2)11-8(9)4-5-10(3)6-8/h7H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyGRBAGPBZHGVUPG-MRVPVSSYSA-N
MW161.22 g/mol
LogP1.41
Rot. Bonds2

About (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine

(3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine (PubChem CID 139364402) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine
PubChem CID139364402
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@]1(F)CCN(C)C1
InChIInChI=1S/C8H16FNO/c1-7(2)11-8(9)4-5-10(3)6-8/h7H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyGRBAGPBZHGVUPG-MRVPVSSYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine (CID 139364402) is (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine is CC(C)O[C@]1(F)CCN(C)C1.
What is the InChIKey of (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine?
The InChIKey is GRBAGPBZHGVUPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)11-8(9)4-5-10(3)6-8/h7H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine?
(3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-methyl-3-propan-2-yloxypyrrolidine is sourced from PubChem (CID 139364402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).