3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine

C12H22FNO — CID 114624510

IUPAC3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine
SMILESCC1(C)CC(C2(F)CC(N)C2)C(C)(C)O1
InChIInChI=1S/C12H22FNO/c1-10(2)7-9(11(3,4)15-10)12(13)5-8(14)6-12/h8-9H,5-7,14H2,1-4H3
InChIKeyHEFCZBXFSZLCFU-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.41
Rot. Bonds1

About 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine

3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine (PubChem CID 114624510) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine
PubChem CID114624510
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine
SMILESCC1(C)CC(C2(F)CC(N)C2)C(C)(C)O1
InChIInChI=1S/C12H22FNO/c1-10(2)7-9(11(3,4)15-10)12(13)5-8(14)6-12/h8-9H,5-7,14H2,1-4H3
InChIKeyHEFCZBXFSZLCFU-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-(oxolan-3-yl)cyclobutan-1-amine
CID 112564069
4-Fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 113609573
2-[Fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-3-methylbutan-1-amine
CID 113960094
4,4,4-Trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623314
3-Fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine
CID 114624515
3-Fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 114624520
2-Fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 114624521
3-Fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 114624522
1-Cyclobutyl-4-(oxolan-2-yl)butan-1-amine
CID 65164621
2-Cyclobutyl-1-(2-methyloxolan-2-yl)ethanamine
CID 80175256
2-[2-(Oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 81013779
1-(2,2,5,5-Tetramethyloxolan-3-yl)butan-1-amine
CID 83048379

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine (CID 114624510) is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine is CC1(C)CC(C2(F)CC(N)C2)C(C)(C)O1.
What is the InChIKey of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine?
The InChIKey is HEFCZBXFSZLCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-10(2)7-9(11(3,4)15-10)12(13)5-8(14)6-12/h8-9H,5-7,14H2,1-4H3.
What are the key properties of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine?
3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 114624510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).