1,2-diethyl-4-fluoropyrrolidine

C8H16FN — CID 66831179

IUPAC1,2-diethyl-4-fluoropyrrolidine
SMILESCCC1CC(F)CN1CC
InChIInChI=1S/C8H16FN/c1-3-8-5-7(9)6-10(8)4-2/h7-8H,3-6H2,1-2H3
InChIKeyRBWUVFHOUJJWDC-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds2

About 1,2-diethyl-4-fluoropyrrolidine

1,2-diethyl-4-fluoropyrrolidine (PubChem CID 66831179) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 1,2-diethyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name1,2-diethyl-4-fluoropyrrolidine
PubChem CID66831179
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name1,2-diethyl-4-fluoropyrrolidine
SMILESCCC1CC(F)CN1CC
InChIInChI=1S/C8H16FN/c1-3-8-5-7(9)6-10(8)4-2/h7-8H,3-6H2,1-2H3
InChIKeyRBWUVFHOUJJWDC-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexylpyrrolidine
CID 139064
2-Butyl-1-methylpyrrolidine
CID 558513
2-Ethyl-1-methylpyrrolidine
CID 558604
1-Hexylpyrrolidine
CID 67155
Pyrrolidinium, 1-hexyl-1-methyl-
CID 10490879
(2S)-1-(2,2-dimethylpropyl)-2-(fluoromethyl)pyrrolidine
CID 135037336
1-Butyl-2-methylpyrrolidine
CID 10909668
1-Methyl-2-propylpyrrolidine
CID 12411600
(3S,4S)-1-cyclohexyl-3,4-difluoropyrrolidine
CID 97988198
(3S,4S)-3,4-difluoro-1-octylpyrrolidine
CID 98469115
Diethylpyrrolidine
CID 12411601
1-Butyl-2,5-dimethylpyrrolidine
CID 12499528

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-fluoropyrrolidine?
The IUPAC name of 1,2-diethyl-4-fluoropyrrolidine (CID 66831179) is 1,2-diethyl-4-fluoropyrrolidine.
What is the SMILES notation for 1,2-diethyl-4-fluoropyrrolidine?
The canonical SMILES for 1,2-diethyl-4-fluoropyrrolidine is CCC1CC(F)CN1CC.
What is the InChIKey of 1,2-diethyl-4-fluoropyrrolidine?
The InChIKey is RBWUVFHOUJJWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-8-5-7(9)6-10(8)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,2-diethyl-4-fluoropyrrolidine?
1,2-diethyl-4-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-fluoropyrrolidine is sourced from PubChem (CID 66831179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).