N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C11H18F3NOS — CID 79904037

IUPACN-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)2-4-15-9-1-5-16-10(7-9)3-6-17-8-10/h9,15H,1-8H2
InChIKeyWFTWXNINONLEJU-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.58
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79904037) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79904037
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC NameN-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)2-4-15-9-1-5-16-10(7-9)3-6-17-8-10/h9,15H,1-8H2
InChIKeyWFTWXNINONLEJU-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79904037) is N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is FC(F)(F)CCNC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is WFTWXNINONLEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS/c12-11(13,14)2-4-15-9-1-5-16-10(7-9)3-6-17-8-10/h9,15H,1-8H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 269.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79904037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).