1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine

C10H20F3NS — CID 166671911

IUPAC1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine
SMILESCSC(C)(C)NC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-8(2,3)7(10(11,12)13)14-9(4,5)15-6/h7,14H,1-6H3
InChIKeyIEKSQTDEJUOLCN-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.65
Rot. Bonds3

About 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine

1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine (PubChem CID 166671911) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine
PubChem CID166671911
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine
SMILESCSC(C)(C)NC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-8(2,3)7(10(11,12)13)14-9(4,5)15-6/h7,14H,1-6H3
InChIKeyIEKSQTDEJUOLCN-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine (CID 166671911) is 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine is CSC(C)(C)NC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine?
The InChIKey is IEKSQTDEJUOLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-8(2,3)7(10(11,12)13)14-9(4,5)15-6/h7,14H,1-6H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine?
1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine is sourced from PubChem (CID 166671911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).