1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine

C9H17F2N — CID 101453500

IUPAC1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)C(F)(F)N1CCCC1
InChIInChI=1S/C9H17F2N/c1-8(2,3)9(10,11)12-6-4-5-7-12/h4-7H2,1-3H3
InChIKeyUGFWEGQKRPBOQU-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.72
Rot. Bonds1

About 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine

1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine (PubChem CID 101453500) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine
PubChem CID101453500
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)C(F)(F)N1CCCC1
InChIInChI=1S/C9H17F2N/c1-8(2,3)9(10,11)12-6-4-5-7-12/h4-7H2,1-3H3
InChIKeyUGFWEGQKRPBOQU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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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
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
1-(2,2-Dimethylpropyl)-3-fluoro-3-methylpyrrolidine
CID 58266757

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine (CID 101453500) is 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine is CC(C)(C)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine?
The InChIKey is UGFWEGQKRPBOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8(2,3)9(10,11)12-6-4-5-7-12/h4-7H2,1-3H3.
What are the key properties of 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine?
1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 101453500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).