(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine

C8H16FNO — CID 130270256

IUPAC(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
SMILESCOCCCN1CC[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyZZZWSFSHXQDWTA-QMMMGPOBSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds4

About (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine

(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine (PubChem CID 130270256) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
PubChem CID130270256
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
SMILESCOCCCN1CC[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyZZZWSFSHXQDWTA-QMMMGPOBSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine (CID 130270256) is (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine is COCCCN1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine?
The InChIKey is ZZZWSFSHXQDWTA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO/c1-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine?
(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine is sourced from PubChem (CID 130270256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).