(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine

C14H27FN2 — CID 118213491

IUPAC(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine
SMILESCC(C)(C)[C@H]1CCN(CCN2CC[C@@H](F)C2)C1
InChIInChI=1S/C14H27FN2/c1-14(2,3)12-4-6-16(10-12)8-9-17-7-5-13(15)11-17/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyZFBQAAZJRNTIOS-QWHCGFSZSA-N
MW242.38 g/mol
LogP2.40
Rot. Bonds3

About (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine

(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine (PubChem CID 118213491) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine
PubChem CID118213491
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine
SMILESCC(C)(C)[C@H]1CCN(CCN2CC[C@@H](F)C2)C1
InChIInChI=1S/C14H27FN2/c1-14(2,3)12-4-6-16(10-12)8-9-17-7-5-13(15)11-17/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyZFBQAAZJRNTIOS-QWHCGFSZSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine (CID 118213491) is (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine is CC(C)(C)[C@H]1CCN(CCN2CC[C@@H](F)C2)C1.
What is the InChIKey of (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine?
The InChIKey is ZFBQAAZJRNTIOS-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27FN2/c1-14(2,3)12-4-6-16(10-12)8-9-17-7-5-13(15)11-17/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine?
(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine has a molecular weight of 242.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine is sourced from PubChem (CID 118213491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).