[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H16FNO — CID 146634848

IUPAC[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCC(Cc2ccc(F)cc2)N1
InChIInChI=1S/C12H16FNO/c13-10-3-1-9(2-4-10)7-11-5-6-12(8-15)14-11/h1-4,11-12,14-15H,5-8H2/t11?,12-/m1/s1
InChIKeyBXRRECCNNPBCOW-PIJUOVFKSA-N
MW209.26 g/mol
LogP1.48
Rot. Bonds3

About [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 146634848) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID146634848
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCC(Cc2ccc(F)cc2)N1
InChIInChI=1S/C12H16FNO/c13-10-3-1-9(2-4-10)7-11-5-6-12(8-15)14-11/h1-4,11-12,14-15H,5-8H2/t11?,12-/m1/s1
InChIKeyBXRRECCNNPBCOW-PIJUOVFKSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 146634848) is [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCC(Cc2ccc(F)cc2)N1.
What is the InChIKey of [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is BXRRECCNNPBCOW-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-3-1-9(2-4-10)7-11-5-6-12(8-15)14-11/h1-4,11-12,14-15H,5-8H2/t11?,12-/m1/s1.
What are the key properties of [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 146634848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).