bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

C17H17F2NO — CID 6544419

IUPACbis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C17H17F2NO/c18-14-7-3-12(4-8-14)17(21,16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16,20-21H,1-2,11H2/t16-/m0/s1
InChIKeyMFOIELLUBQRIOJ-INIZCTEOSA-N
MW289.33 g/mol
LogP2.95
Rot. Bonds3

About bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 6544419) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
PubChem CID6544419
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namebis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C17H17F2NO/c18-14-7-3-12(4-8-14)17(21,16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16,20-21H,1-2,11H2/t16-/m0/s1
InChIKeyMFOIELLUBQRIOJ-INIZCTEOSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (CID 6544419) is bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CCCN1.
What is the InChIKey of bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is MFOIELLUBQRIOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-7-3-12(4-8-14)17(21,16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16,20-21H,1-2,11H2/t16-/m0/s1.
What are the key properties of bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 6544419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).