1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol

C9H18F3NOS — CID 116617481

IUPAC1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCSC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C9H18F3NOS/c1-4-13(7-8(2,3)14)5-6-15-9(10,11)12/h14H,4-7H2,1-3H3
InChIKeyZNYFNABDDWMFQX-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.33
Rot. Bonds6

About 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol

1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 116617481) has the molecular formula C9H18F3NOS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol
PubChem CID116617481
Molecular FormulaC9H18F3NOS
Molecular Weight245.31 g/mol
Exact Mass245.11
IUPAC Name1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCSC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C9H18F3NOS/c1-4-13(7-8(2,3)14)5-6-15-9(10,11)12/h14H,4-7H2,1-3H3
InChIKeyZNYFNABDDWMFQX-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol (CID 116617481) is 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol is CCN(CCSC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is ZNYFNABDDWMFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NOS/c1-4-13(7-8(2,3)14)5-6-15-9(10,11)12/h14H,4-7H2,1-3H3.
What are the key properties of 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 245.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(trifluoromethylsulfanyl)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 116617481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).