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

C10H18FNO — CID 112564146

IUPAC3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
SMILESNC1CC(F)(CCC2CCCO2)C1
InChIInChI=1S/C10H18FNO/c11-10(6-8(12)7-10)4-3-9-2-1-5-13-9/h8-9H,1-7,12H2
InChIKeyKQFXDDAUYWAXOH-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.77
Rot. Bonds3

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

3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 112564146) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
PubChem CID112564146
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
SMILESNC1CC(F)(CCC2CCCO2)C1
InChIInChI=1S/C10H18FNO/c11-10(6-8(12)7-10)4-3-9-2-1-5-13-9/h8-9H,1-7,12H2
InChIKeyKQFXDDAUYWAXOH-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.77
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
3-(2,2,2-Trifluoroethoxy)spiro[3.4]octan-1-amine
CID 66356759
3-(2,2-Difluoroethoxy)spiro[3.4]octan-1-amine
CID 82010651
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
3-(4,4,4-Trifluorobutoxy)spiro[3.4]octan-1-amine
CID 82794663
3-(3,3,3-Trifluoropropoxy)spiro[3.4]octan-1-amine
CID 82958074
1-(3-Ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
CID 103168855
1-(3-Ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
CID 103169305
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
5,5,5-Trifluoro-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105024270
5,5,5-Trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
CID 105024352

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine (CID 112564146) is 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine is NC1CC(F)(CCC2CCCO2)C1.
What is the InChIKey of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is KQFXDDAUYWAXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-10(6-8(12)7-10)4-3-9-2-1-5-13-9/h8-9H,1-7,12H2.
What are the key properties of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine?
3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 112564146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).