(2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine

C14H20FNO — CID 134199959

IUPAC(2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine
SMILESCO[C@H]1C[C@@H](c2cccc(F)c2)N[C@H]1C(C)C
InChIInChI=1S/C14H20FNO/c1-9(2)14-13(17-3)8-12(16-14)10-5-4-6-11(15)7-10/h4-7,9,12-14,16H,8H2,1-3H3/t12-,13-,14-/m0/s1
InChIKeyQHRGWTORAUMSIU-IHRRRGAJSA-N
MW237.32 g/mol
LogP2.90
Rot. Bonds3

About (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine

(2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine (PubChem CID 134199959) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine
PubChem CID134199959
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine
SMILESCO[C@H]1C[C@@H](c2cccc(F)c2)N[C@H]1C(C)C
InChIInChI=1S/C14H20FNO/c1-9(2)14-13(17-3)8-12(16-14)10-5-4-6-11(15)7-10/h4-7,9,12-14,16H,8H2,1-3H3/t12-,13-,14-/m0/s1
InChIKeyQHRGWTORAUMSIU-IHRRRGAJSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10780776
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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine (CID 134199959) is (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine is CO[C@H]1C[C@@H](c2cccc(F)c2)N[C@H]1C(C)C.
What is the InChIKey of (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine?
The InChIKey is QHRGWTORAUMSIU-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)14-13(17-3)8-12(16-14)10-5-4-6-11(15)7-10/h4-7,9,12-14,16H,8H2,1-3H3/t12-,13-,14-/m0/s1.
What are the key properties of (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine?
(2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-5-(3-fluorophenyl)-3-methoxy-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 134199959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).