1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine

C17H34F2N2 — CID 158121674

IUPAC1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
SMILESCC(C)(C)CN1CC(F)C1.CC(C)(C)CN1CCC(F)C1
InChIInChI=1S/C9H18FN.C8H16FN/c1-9(2,3)7-11-5-4-8(10)6-11;1-8(2,3)6-10-4-7(9)5-10/h8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyFRRHUZQVWNVLGA-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.76
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine

1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine (PubChem CID 158121674) has the molecular formula C17H34F2N2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
PubChem CID158121674
Molecular FormulaC17H34F2N2
Molecular Weight304.47 g/mol
Exact Mass304.27
IUPAC Name1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
SMILESCC(C)(C)CN1CC(F)C1.CC(C)(C)CN1CCC(F)C1
InChIInChI=1S/C9H18FN.C8H16FN/c1-9(2,3)7-11-5-4-8(10)6-11;1-8(2,3)6-10-4-7(9)5-10/h8H,4-7H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyFRRHUZQVWNVLGA-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
3-(difluoromethoxy)-1-(2,2-dimethylpropyl)pyrrolidine
CID 137419192
(3R)-1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 176776271
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
CID 90288475
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine (CID 158121674) is 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine is CC(C)(C)CN1CC(F)C1.CC(C)(C)CN1CCC(F)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
The InChIKey is FRRHUZQVWNVLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C8H16FN/c1-9(2,3)7-11-5-4-8(10)6-11;1-8(2,3)6-10-4-7(9)5-10/h8H,4-7H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine?
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine has a molecular weight of 304.47 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine is sourced from PubChem (CID 158121674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).