[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone

C14H25FN2O — CID 130195589

IUPAC[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H25FN2O/c1-11-5-7-16(9-11)12(18)14(15)6-8-17(10-14)13(2,3)4/h11H,5-10H2,1-4H3/t11?,14-/m1/s1
InChIKeyODYLRPDAXSNCSZ-SBXXRYSUSA-N
MW256.36 g/mol
LogP2.07
Rot. Bonds1

About [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone

[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 130195589) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID130195589
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H25FN2O/c1-11-5-7-16(9-11)12(18)14(15)6-8-17(10-14)13(2,3)4/h11H,5-10H2,1-4H3/t11?,14-/m1/s1
InChIKeyODYLRPDAXSNCSZ-SBXXRYSUSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 130195589) is [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1.
What is the InChIKey of [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is ODYLRPDAXSNCSZ-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-11-5-7-16(9-11)12(18)14(15)6-8-17(10-14)13(2,3)4/h11H,5-10H2,1-4H3/t11?,14-/m1/s1.
What are the key properties of [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 256.36 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 130195589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).