3-(2,2-dimethylpropyl)-3-fluoroazetidine

C8H16FN — CID 164779239

IUPAC3-(2,2-dimethylpropyl)-3-fluoroazetidine
SMILESCC(C)(C)CC1(F)CNC1
InChIInChI=1S/C8H16FN/c1-7(2,3)4-8(9)5-10-6-8/h10H,4-6H2,1-3H3
InChIKeyFXEWCLAPCHQQJU-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds1

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

3-(2,2-dimethylpropyl)-3-fluoroazetidine (PubChem CID 164779239) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-fluoroazetidine
PubChem CID164779239
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-(2,2-dimethylpropyl)-3-fluoroazetidine
SMILESCC(C)(C)CC1(F)CNC1
InChIInChI=1S/C8H16FN/c1-7(2,3)4-8(9)5-10-6-8/h10H,4-6H2,1-3H3
InChIKeyFXEWCLAPCHQQJU-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluoro-2-azaspiro[3.3]heptane
CID 54595511
3-(2,2-Dimethylpropyl)azetidine hydrochloride
CID 138039736
6-Fluoro-6-methyl-2-azaspiro(3.3)heptane hydrochloride
CID 146049503
3-(2,2-Dimethylpropyl)azetidine
CID 21056549
5-Fluoro-2-azaspiro[3.3]heptane
CID 105427047
3-Fluoro-3-isobutyl-azetidine
CID 112563445
3-Fluoro-3-propyl-azetidine
CID 112563446
6-Fluoro-6-methyl-2-azaspiro[3.3]heptane
CID 118185512
(7S)-7-fluoro-2-azaspiro[3.3]heptane
CID 124707013
(7R)-7-fluoro-2-azaspiro[3.3]heptane
CID 124707919
N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
CID 129033932
3-Fluoro-3-(3-methylbutan-2-yl)azetidine
CID 131213806

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-fluoroazetidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-fluoroazetidine (CID 164779239) is 3-(2,2-dimethylpropyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-fluoroazetidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-fluoroazetidine is CC(C)(C)CC1(F)CNC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-fluoroazetidine?
The InChIKey is FXEWCLAPCHQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2,3)4-8(9)5-10-6-8/h10H,4-6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-fluoroazetidine?
3-(2,2-dimethylpropyl)-3-fluoroazetidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 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-fluoroazetidine is sourced from PubChem (CID 164779239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).