(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol

C10H20FNO — CID 166767249

IUPAC(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol
SMILESCCN1C[C@H](F)[C@H](O)[C@H]1C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-5-12-6-7(11)8(13)9(12)10(2,3)4/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-/m0/s1
InChIKeyOSWIARLUTXMYFQ-CIUDSAMLSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds1

About (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol

(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol (PubChem CID 166767249) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol
PubChem CID166767249
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol
SMILESCCN1C[C@H](F)[C@H](O)[C@H]1C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-5-12-6-7(11)8(13)9(12)10(2,3)4/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-/m0/s1
InChIKeyOSWIARLUTXMYFQ-CIUDSAMLSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

1-(3-Fluoropyrrolidin-1-yl)-4,4-dimethylpentan-2-ol
CID 58530503
1-(1,3-Dimethylpyrrolidin-3-yl)-3,3,3-trifluoropropan-1-ol
CID 60007018
3-Fluoro-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 129229274
1-Ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
CID 129229375
2-Tert-butyl-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 146463567
(2R,3R,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298253
(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298433
(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298446
(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298730
(2S,3S,4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 161723469
5-Tert-butyl-1-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)pyrrolidin-3-ol
CID 162711159
1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentan-2-ol
CID 163393183

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol?
The IUPAC name of (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol (CID 166767249) is (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol is CCN1C[C@H](F)[C@H](O)[C@H]1C(C)(C)C.
What is the InChIKey of (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol?
The InChIKey is OSWIARLUTXMYFQ-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H20FNO/c1-5-12-6-7(11)8(13)9(12)10(2,3)4/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-/m0/s1.
What are the key properties of (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol?
(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 166767249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).