2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H18F3NOS — CID 62991608

IUPAC2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)SC1CCOCC1
InChIInChI=1S/C10H18F3NOS/c1-8(6-14-7-10(11,12)13)16-9-2-4-15-5-3-9/h8-9,14H,2-7H2,1H3
InChIKeyZYFKPYUHLGBHEW-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.44
Rot. Bonds5

About 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62991608) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62991608
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)SC1CCOCC1
InChIInChI=1S/C10H18F3NOS/c1-8(6-14-7-10(11,12)13)16-9-2-4-15-5-3-9/h8-9,14H,2-7H2,1H3
InChIKeyZYFKPYUHLGBHEW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62991608) is 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)SC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZYFKPYUHLGBHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-8(6-14-7-10(11,12)13)16-9-2-4-15-5-3-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62991608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).