(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol

C15H22FNO2 — CID 129381032

IUPAC(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1C[C@H](C)C[C@H]1c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11-7-15(13-5-3-4-6-14(13)16)17(8-11)9-12(18)10-19-2/h3-6,11-12,15,18H,7-10H2,1-2H3/t11-,12-,15+/m1/s1
InChIKeyCPUIXBTWIDCGHH-JMSVASOKSA-N
MW267.34 g/mol
LogP2.22
Rot. Bonds5

About (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol

(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 129381032) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol
PubChem CID129381032
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1C[C@H](C)C[C@H]1c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11-7-15(13-5-3-4-6-14(13)16)17(8-11)9-12(18)10-19-2/h3-6,11-12,15,18H,7-10H2,1-2H3/t11-,12-,15+/m1/s1
InChIKeyCPUIXBTWIDCGHH-JMSVASOKSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol (CID 129381032) is (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol is COC[C@H](O)CN1C[C@H](C)C[C@H]1c1ccccc1F.
What is the InChIKey of (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is CPUIXBTWIDCGHH-JMSVASOKSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11-7-15(13-5-3-4-6-14(13)16)17(8-11)9-12(18)10-19-2/h3-6,11-12,15,18H,7-10H2,1-2H3/t11-,12-,15+/m1/s1.
What are the key properties of (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol?
(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 129381032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).