(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone

C13H22F2N2O — CID 155201082

IUPAC(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCC(C)(C)C1CCCN1C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-12(2,3)10-5-4-7-17(10)11(18)16-8-6-13(14,15)9-16/h10H,4-9H2,1-3H3
InChIKeyUGCBLUXJVJWCGP-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.96
Rot. Bonds

About (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone

(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 155201082) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID155201082
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCC(C)(C)C1CCCN1C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-12(2,3)10-5-4-7-17(10)11(18)16-8-6-13(14,15)9-16/h10H,4-9H2,1-3H3
InChIKeyUGCBLUXJVJWCGP-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 155201082) is (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone is CC(C)(C)C1CCCN1C(=O)N1CCC(F)(F)C1.
What is the InChIKey of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is UGCBLUXJVJWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-12(2,3)10-5-4-7-17(10)11(18)16-8-6-13(14,15)9-16/h10H,4-9H2,1-3H3.
What are the key properties of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 260.33 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 155201082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).