(S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol

C14H20FNO — CID 138473384

IUPAC(S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CC[C@@H]([C@@H](O)c2cccc(F)c2)N1
InChIInChI=1S/C14H20FNO/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3/t12-,13-,14-/m0/s1
InChIKeyFKQBTCXESOAGPB-IHRRRGAJSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds4

About (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol

(S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol (PubChem CID 138473384) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol
PubChem CID138473384
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CC[C@@H]([C@@H](O)c2cccc(F)c2)N1
InChIInChI=1S/C14H20FNO/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3/t12-,13-,14-/m0/s1
InChIKeyFKQBTCXESOAGPB-IHRRRGAJSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol?
The IUPAC name of (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol (CID 138473384) is (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol is CCC[C@H]1CC[C@@H]([C@@H](O)c2cccc(F)c2)N1.
What is the InChIKey of (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol?
The InChIKey is FKQBTCXESOAGPB-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3/t12-,13-,14-/m0/s1.
What are the key properties of (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol?
(S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluorophenyl)-[(2S,5S)-5-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 138473384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).