[(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol

C12H16FNO — CID 118116511

IUPAC[(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1ccccc1
InChIInChI=1S/C12H16FNO/c13-11-6-12(9-15)14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2/t11-,12-/m0/s1
InChIKeyOTOSXFWOPVAVJX-RYUDHWBXSA-N
MW209.26 g/mol
LogP1.59
Rot. Bonds3

About [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 118116511) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol
PubChem CID118116511
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1ccccc1
InChIInChI=1S/C12H16FNO/c13-11-6-12(9-15)14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2/t11-,12-/m0/s1
InChIKeyOTOSXFWOPVAVJX-RYUDHWBXSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol (CID 118116511) is [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1ccccc1.
What is the InChIKey of [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is OTOSXFWOPVAVJX-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-6-12(9-15)14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 118116511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).