4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine

C8H15F2N — CID 58578342

IUPAC4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)(F)CC1C
InChIInChI=1S/C8H15F2N/c1-6(2)11-5-8(9,10)4-7(11)3/h6-7H,4-5H2,1-3H3
InChIKeyWTNMFWQWYJOYIW-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.12
Rot. Bonds1

About 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine

4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 58578342) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID58578342
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)(F)CC1C
InChIInChI=1S/C8H15F2N/c1-6(2)11-5-8(9,10)4-7(11)3/h6-7H,4-5H2,1-3H3
InChIKeyWTNMFWQWYJOYIW-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(2,2-dimethylpropyl)-2-(fluoromethyl)pyrrolidine
CID 135037336
2,2,3,3,4,4,5,5-Octafluoro-1-hexylpyrrolidine
CID 20270942
1-Cyclohexyl-2,2,3,3,4,4,5-heptafluoro-5-methylpyrrolidine
CID 20475974
1-Cyclohexyl-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 21954144
2-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 23395523
4,4-Difluoro-1,2-dimethylpyrrolidine
CID 23521112
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)pyrrolidine
CID 54109001
2-(1,1-Difluoropropyl)-1-methylpyrrolidine
CID 54481824
1-Tert-butyl-3,3-difluoropyrrolidine
CID 57559179
(2S)-1-(2-fluoroethyl)-2-propylpyrrolidine
CID 57639814
N-butan-2-yl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 57680078
1-Methyl-2-(trifluoromethyl)pyrrolidine
CID 57837852

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine (CID 58578342) is 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine is CC(C)N1CC(F)(F)CC1C.
What is the InChIKey of 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is WTNMFWQWYJOYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)11-5-8(9,10)4-7(11)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine?
4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 2.12, 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-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58578342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).