3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine

C16H22FNO — CID 122158319

IUPAC3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
SMILESCCOCC1CCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO/c1-2-19-13-15-9-11-18(12-15)10-3-4-14-5-7-16(17)8-6-14/h3-8,15H,2,9-13H2,1H3/b4-3+
InChIKeyRMCNNUXQNVDKJA-ONEGZZNKSA-N
MW263.36 g/mol
LogP3.20
Rot. Bonds6

About 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine

3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine (PubChem CID 122158319) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
PubChem CID122158319
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
SMILESCCOCC1CCN(C/C=C/c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO/c1-2-19-13-15-9-11-18(12-15)10-3-4-14-5-7-16(17)8-6-14/h3-8,15H,2,9-13H2,1H3/b4-3+
InChIKeyRMCNNUXQNVDKJA-ONEGZZNKSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95188008
1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236
ethyl 4-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51636179
2-[1-[(2-ethoxyphenyl)methyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 45171309
3-[3-(4-fluorophenyl)prop-2-enoxy]-1-propylpyrrolidine
CID 69113526
3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine
CID 54050589
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
4-ethyl-3-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50959679
1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
CID 127264798
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine (CID 122158319) is 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine is CCOCC1CCN(C/C=C/c2ccc(F)cc2)C1.
What is the InChIKey of 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine?
The InChIKey is RMCNNUXQNVDKJA-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-19-13-15-9-11-18(12-15)10-3-4-14-5-7-16(17)8-6-14/h3-8,15H,2,9-13H2,1H3/b4-3+.
What are the key properties of 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine?
3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine has a molecular weight of 263.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine is sourced from PubChem (CID 122158319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).