4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine

C8H14F3N — CID 176557306

IUPAC4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
SMILESCN1CC(F)(F)CC1C(C)(C)F
InChIInChI=1S/C8H14F3N/c1-7(2,9)6-4-8(10,11)5-12(6)3/h6H,4-5H2,1-3H3
InChIKeyXPUYVOHKZOJUGK-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.07
Rot. Bonds1

About 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine

4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine (PubChem CID 176557306) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
PubChem CID176557306
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
SMILESCN1CC(F)(F)CC1C(C)(C)F
InChIInChI=1S/C8H14F3N/c1-7(2,9)6-4-8(10,11)5-12(6)3/h6H,4-5H2,1-3H3
InChIKeyXPUYVOHKZOJUGK-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine?
The IUPAC name of 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine (CID 176557306) is 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine is CN1CC(F)(F)CC1C(C)(C)F.
What is the InChIKey of 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine?
The InChIKey is XPUYVOHKZOJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(2,9)6-4-8(10,11)5-12(6)3/h6H,4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine?
4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 176557306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).