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

C12H22FNO — CID 112565590

IUPAC3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine
SMILESNC1CCC(F)(CCCC2CCCO2)C1
InChIInChI=1S/C12H22FNO/c13-12(7-5-10(14)9-12)6-1-3-11-4-2-8-15-11/h10-11H,1-9,14H2
InChIKeyHJRNGHQVEKGDLX-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.56
Rot. Bonds4

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

3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine (PubChem CID 112565590) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine
PubChem CID112565590
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine
SMILESNC1CCC(F)(CCCC2CCCO2)C1
InChIInChI=1S/C12H22FNO/c13-12(7-5-10(14)9-12)6-1-3-11-4-2-8-15-11/h10-11H,1-9,14H2
InChIKeyHJRNGHQVEKGDLX-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
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-[3-(oxolan-2-yl)propyl]cyclobutan-1-amine
CID 112563937
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 112564146
2-Fluoro-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 112565044
3-Fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 112565585
3-Fluoro-3-(oxolan-3-yl)cyclopentan-1-amine
CID 112565728
3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-amine
CID 112565774
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-amine
CID 112565805

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine (CID 112565590) is 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine is NC1CCC(F)(CCCC2CCCO2)C1.
What is the InChIKey of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine?
The InChIKey is HJRNGHQVEKGDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-12(7-5-10(14)9-12)6-1-3-11-4-2-8-15-11/h10-11H,1-9,14H2.
What are the key properties of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine?
3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.56, 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]cyclopentan-1-amine is sourced from PubChem (CID 112565590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).