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

C14H20FNO — CID 138473395

IUPAC(S)-(3-fluorophenyl)-[(2R,5R)-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+/m1/s1
InChIKeyFKQBTCXESOAGPB-MCIONIFRSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds4

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

(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol (PubChem CID 138473395) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
PubChem CID138473395
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(S)-(3-fluorophenyl)-[(2R,5R)-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+/m1/s1
InChIKeyFKQBTCXESOAGPB-MCIONIFRSA-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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Related Compounds

(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
(R)-(4-fluorophenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138473465
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 155074654
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
The IUPAC name of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol (CID 138473395) is (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-(3-fluorophenyl)-[(2R,5R)-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)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
The InChIKey is FKQBTCXESOAGPB-MCIONIFRSA-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+/m1/s1.
What are the key properties of (S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol?
(S)-(3-fluorophenyl)-[(2R,5R)-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)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 138473395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).