[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol

C9H18FNO — CID 169177457

IUPAC[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)N1CC(C)(F)C[C@H]1CO
InChIInChI=1S/C9H18FNO/c1-7(2)11-6-9(3,10)4-8(11)5-12/h7-8,12H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyUQGXZBXXXLFGBP-IENPIDJESA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds2

About [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol

[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 169177457) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID169177457
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)N1CC(C)(F)C[C@H]1CO
InChIInChI=1S/C9H18FNO/c1-7(2)11-6-9(3,10)4-8(11)5-12/h7-8,12H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyUQGXZBXXXLFGBP-IENPIDJESA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
(1-Ethylpyrrolidin-2-yl)methanol
CID 259087
[(2S)-1-(2,2-Dimethylpropyl)pyrrolidin-2-yl]methanol
CID 13425763
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]propan-1-ol
CID 58778737
4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol
CID 58778782
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol (CID 169177457) is [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol is CC(C)N1CC(C)(F)C[C@H]1CO.
What is the InChIKey of [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is UQGXZBXXXLFGBP-IENPIDJESA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)11-6-9(3,10)4-8(11)5-12/h7-8,12H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol?
[(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-fluoro-4-methyl-1-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 169177457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).