(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol

C9H18FNO — CID 130626521

IUPAC(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol
SMILESCC[C@H](O)CN1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-3-8(12)6-11-5-4-9(2,10)7-11/h8,12H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyNWGONEGAHGYXNL-IENPIDJESA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds3

About (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol

(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol (PubChem CID 130626521) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol
PubChem CID130626521
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol
SMILESCC[C@H](O)CN1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-3-8(12)6-11-5-4-9(2,10)7-11/h8,12H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyNWGONEGAHGYXNL-IENPIDJESA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-pyrrolidin-1-ylbutan-2-ol
CID 16193323
1-Tert-butylpyrrolidin-3-ol
CID 21702735
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol
CID 3293124
1-(2-Methylpropyl)pyrrolidin-3-ol
CID 20672251
1-(2-Fluoroethyl)pyrrolidin-3-ol
CID 22436476
(3S)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 57561797
1-(3-Fluoropropyl)pyrrolidin-3-ol
CID 81113801
(3R)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 89708588
1-(1-Fluoroethyl)pyrrolidin-3-ol
CID 22438903
(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol
CID 45087549
1-(3-Fluoropyrrolidin-1-yl)-4,4-dimethylpentan-2-ol
CID 58530503
(3R)-1-(1-fluoroethyl)pyrrolidin-3-ol
CID 67683921

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol?
The IUPAC name of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol (CID 130626521) is (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol.
What is the SMILES notation for (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol?
The canonical SMILES for (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol is CC[C@H](O)CN1CCC(C)(F)C1.
What is the InChIKey of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol?
The InChIKey is NWGONEGAHGYXNL-IENPIDJESA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-8(12)6-11-5-4-9(2,10)7-11/h8,12H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol?
(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol is sourced from PubChem (CID 130626521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).