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

C12H22FNOS — CID 112566127

IUPAC2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H22FNOS/c1-2-12(13,8-14)10-3-5-15-11(7-10)4-6-16-9-11/h10H,2-9,14H2,1H3
InChIKeyBYKSRYJPWOCULU-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.37
Rot. Bonds3

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

2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 112566127) has the molecular formula C12H22FNOS and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID112566127
Molecular FormulaC12H22FNOS
Molecular Weight247.38 g/mol
Exact Mass247.14
IUPAC Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H22FNOS/c1-2-12(13,8-14)10-3-5-15-11(7-10)4-6-16-9-11/h10H,2-9,14H2,1H3
InChIKeyBYKSRYJPWOCULU-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine (CID 112566127) is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine is CCC(F)(CN)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is BYKSRYJPWOCULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNOS/c1-2-12(13,8-14)10-3-5-15-11(7-10)4-6-16-9-11/h10H,2-9,14H2,1H3.
What are the key properties of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 112566127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).