[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

C9H18FNO — CID 127004508

IUPAC[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C9H18FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h7-9,12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyAUKNJWQFRIYKCW-IUCAKERBSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 127004508) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
PubChem CID127004508
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C9H18FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h7-9,12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyAUKNJWQFRIYKCW-IUCAKERBSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (CID 127004508) is [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is CC(C)CN1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is AUKNJWQFRIYKCW-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)4-11-5-8(10)3-9(11)6-12/h7-9,12H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 127004508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).