(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol

C10H20FNO — CID 99995622

IUPAC(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)C[C@@H]1C[C@@H](O)CN1CCF
InChIInChI=1S/C10H20FNO/c1-8(2)5-9-6-10(13)7-12(9)4-3-11/h8-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyIVVRQKPUXMTZAL-NXEZZACHSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds4

About (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol

(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 99995622) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID99995622
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)C[C@@H]1C[C@@H](O)CN1CCF
InChIInChI=1S/C10H20FNO/c1-8(2)5-9-6-10(13)7-12(9)4-3-11/h8-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyIVVRQKPUXMTZAL-NXEZZACHSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 102568698
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol
CID 99995475
4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972119
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
1-(3-methylbutyl)-5-propan-2-ylpyrrolidin-3-ol
CID 102568692
(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
CID 99995423

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol (CID 99995622) is (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol is CC(C)C[C@@H]1C[C@@H](O)CN1CCF.
What is the InChIKey of (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is IVVRQKPUXMTZAL-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)5-9-6-10(13)7-12(9)4-3-11/h8-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 99995622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).