3-(2,2-dimethylpropyl)-3-fluoropyrrolidine

C9H18FN — CID 83815669

IUPAC3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
SMILESCC(C)(C)CC1(F)CCNC1
InChIInChI=1S/C9H18FN/c1-8(2,3)6-9(10)4-5-11-7-9/h11H,4-7H2,1-3H3
InChIKeyCVOGMFDQNBDVSM-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine

3-(2,2-dimethylpropyl)-3-fluoropyrrolidine (PubChem CID 83815669) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
PubChem CID83815669
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
SMILESCC(C)(C)CC1(F)CCNC1
InChIInChI=1S/C9H18FN/c1-8(2,3)6-9(10)4-5-11-7-9/h11H,4-7H2,1-3H3
InChIKeyCVOGMFDQNBDVSM-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
3-(2,2-dimethylpropyl)-3-methoxypyrrolidine
CID 83816322
3-butyl-3-fluoropyrrolidine
CID 112564219
4-(3,3-dimethylbutyl)-4-fluoroazepane
CID 103983980
(3S)-3-tert-butyl-3-fluoropyrrolidine
CID 129375471
3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
CID 112564275
3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
CID 127017269
3-(2,2-dimethylpropyl)piperidin-3-ol
CID 83682912
3-but-3-ynyl-3-fluoropyrrolidine
CID 112564424
ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 153399046
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine (CID 83815669) is 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine is CC(C)(C)CC1(F)CCNC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
The InChIKey is CVOGMFDQNBDVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2,3)6-9(10)4-5-11-7-9/h11H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-fluoropyrrolidine is sourced from PubChem (CID 83815669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).