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

C14H24F3NOS — CID 79915392

IUPAC3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24F3NOS/c1-2-5-18-12(9-14(15,16)17)11-3-6-19-13(8-11)4-7-20-10-13/h11-12,18H,2-10H2,1H3
InChIKeyVEHBTQCTUAWRAA-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.61
Rot. Bonds5

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

3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine (PubChem CID 79915392) has the molecular formula C14H24F3NOS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
PubChem CID79915392
Molecular FormulaC14H24F3NOS
Molecular Weight311.41 g/mol
Exact Mass311.15
IUPAC Name3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24F3NOS/c1-2-5-18-12(9-14(15,16)17)11-3-6-19-13(8-11)4-7-20-10-13/h11-12,18H,2-10H2,1H3
InChIKeyVEHBTQCTUAWRAA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.61
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)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine (CID 79915392) is 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine is CCCNC(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)-N-propylpropan-1-amine?
The InChIKey is VEHBTQCTUAWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NOS/c1-2-5-18-12(9-14(15,16)17)11-3-6-19-13(8-11)4-7-20-10-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine has a molecular weight of 311.41 g/mol, XLogP of 3.61, 5 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)-N-propylpropan-1-amine is sourced from PubChem (CID 79915392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).