3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine

C12H20FNOS — CID 112564163

IUPAC3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C12H20FNOS/c13-12(6-10(14)7-12)9-1-3-15-11(5-9)2-4-16-8-11/h9-10H,1-8,14H2
InChIKeyUDPKBQFYSNYABG-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.12
Rot. Bonds1

About 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine

3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine (PubChem CID 112564163) has the molecular formula C12H20FNOS and a molecular weight of 245.36 g/mol. Its IUPAC name is 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine
PubChem CID112564163
Molecular FormulaC12H20FNOS
Molecular Weight245.36 g/mol
Exact Mass245.12
IUPAC Name3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C12H20FNOS/c13-12(6-10(14)7-12)9-1-3-15-11(5-9)2-4-16-8-11/h9-10H,1-8,14H2
InChIKeyUDPKBQFYSNYABG-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine (CID 112564163) is 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine is NC1CC(F)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
The InChIKey is UDPKBQFYSNYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNOS/c13-12(6-10(14)7-12)9-1-3-15-11(5-9)2-4-16-8-11/h9-10H,1-8,14H2.
What are the key properties of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclobutan-1-amine is sourced from PubChem (CID 112564163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).