(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol

C10H20FNO — CID 99995475

IUPAC(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol
SMILESCCCC[C@H]1C[C@H](O)CN1CCF
InChIInChI=1S/C10H20FNO/c1-2-3-4-9-7-10(13)8-12(9)6-5-11/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyFSDFQWCYNJXZSZ-UWVGGRQHSA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds5

About (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol

(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol (PubChem CID 99995475) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol
PubChem CID99995475
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol
SMILESCCCC[C@H]1C[C@H](O)CN1CCF
InChIInChI=1S/C10H20FNO/c1-2-3-4-9-7-10(13)8-12(9)6-5-11/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyFSDFQWCYNJXZSZ-UWVGGRQHSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1,5-dibutylpyrrolidin-3-ol
CID 99995389
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 99995450
(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
CID 99995423
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
(2R,4R)-1-butyl-2-hexyl-4-methylpyrrolidine
CID 131845382
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol (CID 99995475) is (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol is CCCC[C@H]1C[C@H](O)CN1CCF.
What is the InChIKey of (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
The InChIKey is FSDFQWCYNJXZSZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-3-4-9-7-10(13)8-12(9)6-5-11/h9-10,13H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 99995475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).