3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine

C14H24FN — CID 71132743

IUPAC3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
SMILESCCC1CCN(CC2=CC[C@H](F)CC2)C1C
InChIInChI=1S/C14H24FN/c1-3-13-8-9-16(11(13)2)10-12-4-6-14(15)7-5-12/h4,11,13-14H,3,5-10H2,1-2H3/t11?,13?,14-/m0/s1
InChIKeyIPTKXMJKOOUJKA-UBHUBRDASA-N
MW225.35 g/mol
LogP3.56
Rot. Bonds3

About 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine

3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine (PubChem CID 71132743) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
PubChem CID71132743
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
SMILESCCC1CCN(CC2=CC[C@H](F)CC2)C1C
InChIInChI=1S/C14H24FN/c1-3-13-8-9-16(11(13)2)10-12-4-6-14(15)7-5-12/h4,11,13-14H,3,5-10H2,1-2H3/t11?,13?,14-/m0/s1
InChIKeyIPTKXMJKOOUJKA-UBHUBRDASA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine?
The IUPAC name of 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine (CID 71132743) is 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine.
What is the SMILES notation for 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine?
The canonical SMILES for 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine is CCC1CCN(CC2=CC[C@H](F)CC2)C1C.
What is the InChIKey of 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine?
The InChIKey is IPTKXMJKOOUJKA-UBHUBRDASA-N. The full InChI is InChI=1S/C14H24FN/c1-3-13-8-9-16(11(13)2)10-12-4-6-14(15)7-5-12/h4,11,13-14H,3,5-10H2,1-2H3/t11?,13?,14-/m0/s1.
What are the key properties of 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine?
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine has a molecular weight of 225.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine is sourced from PubChem (CID 71132743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).