(3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine

C14H20FNO — CID 66848318

IUPAC(3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1cccc(F)c1)[C@H]1CCNC1
InChIInChI=1S/C14H20FNO/c1-10(2)14(11-6-7-16-9-11)17-13-5-3-4-12(15)8-13/h3-5,8,10-11,14,16H,6-7,9H2,1-2H3/t11-,14-/m0/s1
InChIKeyBYWDTZQGGBXCEA-FZMZJTMJSA-N
MW237.32 g/mol
LogP2.84
Rot. Bonds4

About (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine

(3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine (PubChem CID 66848318) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
PubChem CID66848318
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1cccc(F)c1)[C@H]1CCNC1
InChIInChI=1S/C14H20FNO/c1-10(2)14(11-6-7-16-9-11)17-13-5-3-4-12(15)8-13/h3-5,8,10-11,14,16H,6-7,9H2,1-2H3/t11-,14-/m0/s1
InChIKeyBYWDTZQGGBXCEA-FZMZJTMJSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine (CID 66848318) is (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine is CC(C)[C@H](Oc1cccc(F)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
The InChIKey is BYWDTZQGGBXCEA-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)14(11-6-7-16-9-11)17-13-5-3-4-12(15)8-13/h3-5,8,10-11,14,16H,6-7,9H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine?
(3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 66848318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).