3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine

C14H20FNO2 — CID 112564446

IUPAC3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
SMILESCCOc1ccc(C2(F)CCNC2)cc1OCC
InChIInChI=1S/C14H20FNO2/c1-3-17-12-6-5-11(9-13(12)18-4-2)14(15)7-8-16-10-14/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyXLNXVHAGZPPFSG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.64
Rot. Bonds5

About 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine

3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine (PubChem CID 112564446) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
PubChem CID112564446
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
SMILESCCOc1ccc(C2(F)CCNC2)cc1OCC
InChIInChI=1S/C14H20FNO2/c1-3-17-12-6-5-11(9-13(12)18-4-2)14(15)7-8-16-10-14/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyXLNXVHAGZPPFSG-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol
CID 114501902
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
CID 66465326
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
3-fluoro-3-(4-propoxyphenyl)piperidine
CID 112562960
1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80693589
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
CID 62788660
1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine (CID 112564446) is 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine is CCOc1ccc(C2(F)CCNC2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine?
The InChIKey is XLNXVHAGZPPFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-17-12-6-5-11(9-13(12)18-4-2)14(15)7-8-16-10-14/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine?
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine has a molecular weight of 253.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine is sourced from PubChem (CID 112564446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).