2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

C11H18F3NOS — CID 105017956

IUPAC2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)9(15)8-1-4-16-10(7-8)2-5-17-6-3-10/h8-9H,1-7,15H2
InChIKeyDOGTWCRJPATVRX-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.57
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 105017956) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID105017956
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC Name2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NOS/c12-11(13,14)9(15)8-1-4-16-10(7-8)2-5-17-6-3-10/h8-9H,1-7,15H2
InChIKeyDOGTWCRJPATVRX-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (CID 105017956) is 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is NC(C1CCOC2(CCSCC2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is DOGTWCRJPATVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS/c12-11(13,14)9(15)8-1-4-16-10(7-8)2-5-17-6-3-10/h8-9H,1-7,15H2.
What are the key properties of 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 269.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 105017956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).