(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine

C8H16FNO — CID 88974397

IUPAC(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
SMILESCCOCCN1CC[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-2-11-6-5-10-4-3-8(9)7-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyLMKUXYSZMBRZQX-QMMMGPOBSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds4

About (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine

(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine (PubChem CID 88974397) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
PubChem CID88974397
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
SMILESCCOCCN1CC[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-2-11-6-5-10-4-3-8(9)7-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyLMKUXYSZMBRZQX-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)-1-(2-ethoxyethyl)-3-fluoropyrrolidine?
The IUPAC name of (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine (CID 88974397) is (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine?
The canonical SMILES for (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine is CCOCCN1CC[C@H](F)C1.
What is the InChIKey of (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine?
The InChIKey is LMKUXYSZMBRZQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-11-6-5-10-4-3-8(9)7-10/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine?
(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine 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)-1-(2-ethoxyethyl)-3-fluoropyrrolidine is sourced from PubChem (CID 88974397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).