N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane

C9H22F3NS — CID 174977414

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane
SMILESCCN(C(C)C)C(C)C.CS(F)(F)F
InChIInChI=1S/C8H19N.CH3F3S/c1-6-9(7(2)3)8(4)5;1-5(2,3)4/h7-8H,6H2,1-5H3;1H3
InChIKeyBSRACZSCUMZNHM-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.20
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane

N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane (PubChem CID 174977414) has the molecular formula C9H22F3NS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane
PubChem CID174977414
Molecular FormulaC9H22F3NS
Molecular Weight233.34 g/mol
Exact Mass233.14
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane
SMILESCCN(C(C)C)C(C)C.CS(F)(F)F
InChIInChI=1S/C8H19N.CH3F3S/c1-6-9(7(2)3)8(4)5;1-5(2,3)4/h7-8H,6H2,1-5H3;1H3
InChIKeyBSRACZSCUMZNHM-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane (CID 174977414) is N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane is CCN(C(C)C)C(C)C.CS(F)(F)F.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane?
The InChIKey is BSRACZSCUMZNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.CH3F3S/c1-6-9(7(2)3)8(4)5;1-5(2,3)4/h7-8H,6H2,1-5H3;1H3.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane?
N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane has a molecular weight of 233.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane is sourced from PubChem (CID 174977414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).