3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine

C15H24FN — CID 138507730

IUPAC3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
SMILESCCC1CNCC1CCC1CC=C(F)C=C1C
InChIInChI=1S/C15H24FN/c1-3-12-9-17-10-14(12)5-4-13-6-7-15(16)8-11(13)2/h7-8,12-14,17H,3-6,9-10H2,1-2H3
InChIKeySZBWOJXKCWCVAI-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.83
Rot. Bonds4

About 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine

3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine (PubChem CID 138507730) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
PubChem CID138507730
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
SMILESCCC1CNCC1CCC1CC=C(F)C=C1C
InChIInChI=1S/C15H24FN/c1-3-12-9-17-10-14(12)5-4-13-6-7-15(16)8-11(13)2/h7-8,12-14,17H,3-6,9-10H2,1-2H3
InChIKeySZBWOJXKCWCVAI-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
The IUPAC name of 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine (CID 138507730) is 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine is CCC1CNCC1CCC1CC=C(F)C=C1C.
What is the InChIKey of 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
The InChIKey is SZBWOJXKCWCVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-12-9-17-10-14(12)5-4-13-6-7-15(16)8-11(13)2/h7-8,12-14,17H,3-6,9-10H2,1-2H3.
What are the key properties of 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine has a molecular weight of 237.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 138507730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).