3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine

C11H20FNO — CID 112563937

IUPAC3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine
SMILESNC1CC(F)(CCCC2CCCO2)C1
InChIInChI=1S/C11H20FNO/c12-11(7-9(13)8-11)5-1-3-10-4-2-6-14-10/h9-10H,1-8,13H2
InChIKeyAHQLJRGNCSWRKF-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.17
Rot. Bonds4

About 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine

3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine (PubChem CID 112563937) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine
PubChem CID112563937
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine
SMILESNC1CC(F)(CCCC2CCCO2)C1
InChIInChI=1S/C11H20FNO/c12-11(7-9(13)8-11)5-1-3-10-4-2-6-14-10/h9-10H,1-8,13H2
InChIKeyAHQLJRGNCSWRKF-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
2-{5-Oxaspiro[3.4]octan-6-yl}ethan-1-amine
CID 130585754
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
1-(4,4-Difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 105156948
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
3-Fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
CID 107443727
4-Fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 112562282
4-Fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112562490
3-Fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 112563932
3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine
CID 112564115
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 112564146

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine (CID 112563937) is 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine is NC1CC(F)(CCCC2CCCO2)C1.
What is the InChIKey of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine?
The InChIKey is AHQLJRGNCSWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(7-9(13)8-11)5-1-3-10-4-2-6-14-10/h9-10H,1-8,13H2.
What are the key properties of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine?
3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine has a molecular weight of 201.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine is sourced from PubChem (CID 112563937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).