2-ethyl-1-(2-fluoropropyl)pyrrolidine

C9H18FN — CID 177053751

IUPAC2-ethyl-1-(2-fluoropropyl)pyrrolidine
SMILESCCC1CCCN1CC(C)F
InChIInChI=1S/C9H18FN/c1-3-9-5-4-6-11(9)7-8(2)10/h8-9H,3-7H2,1-2H3
InChIKeyRXXSMLJFBOSRNV-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds3

About 2-ethyl-1-(2-fluoropropyl)pyrrolidine

2-ethyl-1-(2-fluoropropyl)pyrrolidine (PubChem CID 177053751) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoropropyl)pyrrolidine
PubChem CID177053751
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-ethyl-1-(2-fluoropropyl)pyrrolidine
SMILESCCC1CCCN1CC(C)F
InChIInChI=1S/C9H18FN/c1-3-9-5-4-6-11(9)7-8(2)10/h8-9H,3-7H2,1-2H3
InChIKeyRXXSMLJFBOSRNV-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
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 2-ethyl-1-(2-fluoropropyl)pyrrolidine?
The IUPAC name of 2-ethyl-1-(2-fluoropropyl)pyrrolidine (CID 177053751) is 2-ethyl-1-(2-fluoropropyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-1-(2-fluoropropyl)pyrrolidine?
The canonical SMILES for 2-ethyl-1-(2-fluoropropyl)pyrrolidine is CCC1CCCN1CC(C)F.
What is the InChIKey of 2-ethyl-1-(2-fluoropropyl)pyrrolidine?
The InChIKey is RXXSMLJFBOSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-9-5-4-6-11(9)7-8(2)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-fluoropropyl)pyrrolidine?
2-ethyl-1-(2-fluoropropyl)pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoropropyl)pyrrolidine is sourced from PubChem (CID 177053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).