N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C10H16F3NOS — CID 79897878

IUPACN-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H16F3NOS/c11-10(12,13)6-14-8-1-3-15-9(5-8)2-4-16-7-9/h8,14H,1-7H2
InChIKeySDPYURAKPXIFPR-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.19
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79897878) has the molecular formula C10H16F3NOS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79897878
Molecular FormulaC10H16F3NOS
Molecular Weight255.30 g/mol
Exact Mass255.09
IUPAC NameN-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H16F3NOS/c11-10(12,13)6-14-8-1-3-15-9(5-8)2-4-16-7-9/h8,14H,1-7H2
InChIKeySDPYURAKPXIFPR-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.19
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)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79897878) is N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is FC(F)(F)CNC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is SDPYURAKPXIFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NOS/c11-10(12,13)6-14-8-1-3-15-9(5-8)2-4-16-7-9/h8,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(2,2,2-trifluoroethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 255.30 g/mol, XLogP of 2.19, 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)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).