3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

C11H18F3NOS — CID 79915035

IUPAC3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)6-9(15)8-1-3-16-10(5-8)2-4-17-7-10/h8-9H,1-7,15H2
InChIKeyWIOHXEIZERTRQF-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.57
Rot. Bonds2

About 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 79915035) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID79915035
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC Name3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)6-9(15)8-1-3-16-10(5-8)2-4-17-7-10/h8-9H,1-7,15H2
InChIKeyWIOHXEIZERTRQF-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (CID 79915035) is 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is NC(CC(F)(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is WIOHXEIZERTRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS/c12-11(13,14)6-9(15)8-1-3-16-10(5-8)2-4-17-7-10/h8-9H,1-7,15H2.
What are the key properties of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 79915035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).