N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C11H18F3NOS — CID 79898037

IUPACN-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)8-15-9-1-4-16-10(7-9)2-5-17-6-3-10/h9,15H,1-8H2
InChIKeyNTSRTGYWLNGXTQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.58
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79898037) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79898037
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC NameN-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)8-15-9-1-4-16-10(7-9)2-5-17-6-3-10/h9,15H,1-8H2
InChIKeyNTSRTGYWLNGXTQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79898037) is N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is FC(F)(F)CNC1CCOC2(CCSCC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is NTSRTGYWLNGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS/c12-11(13,14)8-15-9-1-4-16-10(7-9)2-5-17-6-3-10/h9,15H,1-8H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 269.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).