2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine

C15H27F2N — CID 155794041

IUPAC2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine
SMILESCN1CCCC1C(F)(F)C1(C(C)(C)C)CCCC1
InChIInChI=1S/C15H27F2N/c1-13(2,3)14(9-5-6-10-14)15(16,17)12-8-7-11-18(12)4/h12H,5-11H2,1-4H3
InChIKeyKEOOYQUILZLYAH-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.32
Rot. Bonds2

About 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine

2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine (PubChem CID 155794041) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine
PubChem CID155794041
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine
SMILESCN1CCCC1C(F)(F)C1(C(C)(C)C)CCCC1
InChIInChI=1S/C15H27F2N/c1-13(2,3)14(9-5-6-10-14)15(16,17)12-8-7-11-18(12)4/h12H,5-11H2,1-4H3
InChIKeyKEOOYQUILZLYAH-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine (CID 155794041) is 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine is CN1CCCC1C(F)(F)C1(C(C)(C)C)CCCC1.
What is the InChIKey of 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine?
The InChIKey is KEOOYQUILZLYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-13(2,3)14(9-5-6-10-14)15(16,17)12-8-7-11-18(12)4/h12H,5-11H2,1-4H3.
What are the key properties of 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine?
2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine has a molecular weight of 259.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylcyclopentyl)-difluoromethyl]-1-methylpyrrolidine is sourced from PubChem (CID 155794041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).