1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine

C9H17F2N — CID 58540366

IUPAC1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine
SMILESCC(C)(C)CN1CCC(F)(F)C1
InChIInChI=1S/C9H17F2N/c1-8(2,3)6-12-5-4-9(10,11)7-12/h4-7H2,1-3H3
InChIKeyUQXVNXCJRRPPEA-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine

1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine (PubChem CID 58540366) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine
PubChem CID58540366
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine
SMILESCC(C)(C)CN1CCC(F)(F)C1
InChIInChI=1S/C9H17F2N/c1-8(2,3)6-12-5-4-9(10,11)7-12/h4-7H2,1-3H3
InChIKeyUQXVNXCJRRPPEA-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
2,2-Difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
1-(1,1-Difluoro-2,2-dimethylpropyl)pyrrolidine
CID 101453500
3-Fluoro-1-(2-methylpropyl)pyrrolidine
CID 20672260
3,3-Difluoro-1-methylpyrrolidine
CID 20775182
2,2,3,4,5,5-Hexafluoro-3,4-dimethyl-1-propylpyrrolidine
CID 22253783
1-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-1-ium iodide
CID 44229486
1-Tert-butyl-3,3-difluoropyrrolidine
CID 57559179
3,3-Difluoro-1-methanidylpyrrolidine;2-methylpropane;tungsten(2+)
CID 57749482
(3S)-1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 57910798
1-(4,4-Dimethylpentyl)-3,3-difluoropyrrolidine
CID 57979610
(3R)-1-butyl-3-fluoropyrrolidine
CID 58221929

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine (CID 58540366) is 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine is CC(C)(C)CN1CCC(F)(F)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine?
The InChIKey is UQXVNXCJRRPPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8(2,3)6-12-5-4-9(10,11)7-12/h4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine?
1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 58540366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).