3-(2-fluoro-4-methylpentan-2-yl)azetidine

C9H18FN — CID 105431358

IUPAC3-(2-fluoro-4-methylpentan-2-yl)azetidine
SMILESCC(C)CC(C)(F)C1CNC1
InChIInChI=1S/C9H18FN/c1-7(2)4-9(3,10)8-5-11-6-8/h7-8,11H,4-6H2,1-3H3
InChIKeyOIMLXICOMFYVTP-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds3

About 3-(2-fluoro-4-methylpentan-2-yl)azetidine

3-(2-fluoro-4-methylpentan-2-yl)azetidine (PubChem CID 105431358) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylpentan-2-yl)azetidine.

Molecular Properties

Compound Name3-(2-fluoro-4-methylpentan-2-yl)azetidine
PubChem CID105431358
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-(2-fluoro-4-methylpentan-2-yl)azetidine
SMILESCC(C)CC(C)(F)C1CNC1
InChIInChI=1S/C9H18FN/c1-7(2)4-9(3,10)8-5-11-6-8/h7-8,11H,4-6H2,1-3H3
InChIKeyOIMLXICOMFYVTP-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1-difluoro-3-methylbutyl)pyrrolidine
CID 105436998
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
3-(2-methylpentan-2-yl)azetidine
CID 167096507
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
N-(2,2-difluoropropyl)-N-methylazetidin-3-amine
CID 84651854
N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)azetidin-3-amine
CID 70646100
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
CID 115058424

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylpentan-2-yl)azetidine?
The IUPAC name of 3-(2-fluoro-4-methylpentan-2-yl)azetidine (CID 105431358) is 3-(2-fluoro-4-methylpentan-2-yl)azetidine.
What is the SMILES notation for 3-(2-fluoro-4-methylpentan-2-yl)azetidine?
The canonical SMILES for 3-(2-fluoro-4-methylpentan-2-yl)azetidine is CC(C)CC(C)(F)C1CNC1.
What is the InChIKey of 3-(2-fluoro-4-methylpentan-2-yl)azetidine?
The InChIKey is OIMLXICOMFYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)4-9(3,10)8-5-11-6-8/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 3-(2-fluoro-4-methylpentan-2-yl)azetidine?
3-(2-fluoro-4-methylpentan-2-yl)azetidine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylpentan-2-yl)azetidine is sourced from PubChem (CID 105431358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).