[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol

C12H16FNO — CID 99987229

IUPAC[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)[C@H](c2ccccc2F)C1
InChIInChI=1S/C12H16FNO/c1-14-6-9(8-15)11(7-14)10-4-2-3-5-12(10)13/h2-5,9,11,15H,6-8H2,1H3/t9-,11-/m1/s1
InChIKeyXTRXJCILCOVILR-MWLCHTKSSA-N
MW209.26 g/mol
LogP1.46
Rot. Bonds2

About [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol

[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 99987229) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID99987229
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)[C@H](c2ccccc2F)C1
InChIInChI=1S/C12H16FNO/c1-14-6-9(8-15)11(7-14)10-4-2-3-5-12(10)13/h2-5,9,11,15H,6-8H2,1H3/t9-,11-/m1/s1
InChIKeyXTRXJCILCOVILR-MWLCHTKSSA-N
XLogP1.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol (CID 99987229) is [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol is CN1C[C@H](CO)[C@H](c2ccccc2F)C1.
What is the InChIKey of [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is XTRXJCILCOVILR-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-6-9(8-15)11(7-14)10-4-2-3-5-12(10)13/h2-5,9,11,15H,6-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol?
[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 99987229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).