(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine

C14H20FNO — CID 122436128

IUPAC(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine
SMILESCC(C)(C)c1ccc(F)cc1O[C@@H]1CCNC1
InChIInChI=1S/C14H20FNO/c1-14(2,3)12-5-4-10(15)8-13(12)17-11-6-7-16-9-11/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyKQWCFBUPKSHUTL-LLVKDONJSA-N
MW237.32 g/mol
LogP2.86
Rot. Bonds2

About (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine

(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine (PubChem CID 122436128) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine
PubChem CID122436128
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine
SMILESCC(C)(C)c1ccc(F)cc1O[C@@H]1CCNC1
InChIInChI=1S/C14H20FNO/c1-14(2,3)12-5-4-10(15)8-13(12)17-11-6-7-16-9-11/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyKQWCFBUPKSHUTL-LLVKDONJSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine (CID 122436128) is (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine is CC(C)(C)c1ccc(F)cc1O[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine?
The InChIKey is KQWCFBUPKSHUTL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)12-5-4-10(15)8-13(12)17-11-6-7-16-9-11/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine?
(3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine is sourced from PubChem (CID 122436128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).