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

C14H21ClFNO — CID 138473394

IUPAC(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
SMILESCCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl
InChIInChI=1S/C14H20FNO.ClH/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;1H/t12-,13-,14+;/m1./s1
InChIKeyWLKBXGMWGZXCQW-NNNATCHMSA-N
MW273.78 g/mol
LogP3.20
Rot. Bonds4

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

(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 138473394) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
PubChem CID138473394
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
SMILESCCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl
InChIInChI=1S/C14H20FNO.ClH/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;1H/t12-,13-,14+;/m1./s1
InChIKeyWLKBXGMWGZXCQW-NNNATCHMSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride (CID 138473394) is (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride is CCC[C@@H]1CC[C@H]([C@@H](O)c2cccc(F)c2)N1.Cl.
What is the InChIKey of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is WLKBXGMWGZXCQW-NNNATCHMSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/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;1H/t12-,13-,14+;/m1./s1.
What are the key properties of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 273.78 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 138473394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).