2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

C12H22FNOS — CID 112565211

IUPAC2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCC(F)(CN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H22FNOS/c1-11(13,9-14)10-2-5-15-12(8-10)3-6-16-7-4-12/h10H,2-9,14H2,1H3
InChIKeyITNPJJPMLQEDTM-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.37
Rot. Bonds2

About 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 112565211) has the molecular formula C12H22FNOS and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID112565211
Molecular FormulaC12H22FNOS
Molecular Weight247.38 g/mol
Exact Mass247.14
IUPAC Name2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCC(F)(CN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H22FNOS/c1-11(13,9-14)10-2-5-15-12(8-10)3-6-16-7-4-12/h10H,2-9,14H2,1H3
InChIKeyITNPJJPMLQEDTM-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (CID 112565211) is 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is CC(F)(CN)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is ITNPJJPMLQEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNOS/c1-11(13,9-14)10-2-5-15-12(8-10)3-6-16-7-4-12/h10H,2-9,14H2,1H3.
What are the key properties of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 112565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).