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

C11H13BrFNO — CID 67085372

IUPAC[(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1ccc(Br)cc1
InChIInChI=1S/C11H13BrFNO/c12-8-1-3-10(4-2-8)14-6-9(13)5-11(14)7-15/h1-4,9,11,15H,5-7H2/t9-,11-/m0/s1
InChIKeyTXEYJXRAXQAEPV-ONGXEEELSA-N
MW274.13 g/mol
LogP2.36
Rot. Bonds2

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

[(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 67085372) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID67085372
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name[(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1ccc(Br)cc1
InChIInChI=1S/C11H13BrFNO/c12-8-1-3-10(4-2-8)14-6-9(13)5-11(14)7-15/h1-4,9,11,15H,5-7H2/t9-,11-/m0/s1
InChIKeyTXEYJXRAXQAEPV-ONGXEEELSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol (CID 67085372) is [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1c1ccc(Br)cc1.
What is the InChIKey of [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is TXEYJXRAXQAEPV-ONGXEEELSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-8-1-3-10(4-2-8)14-6-9(13)5-11(14)7-15/h1-4,9,11,15H,5-7H2/t9-,11-/m0/s1.
What are the key properties of [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 274.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(4-bromophenyl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 67085372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).