2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine

C8H16F3NO2S — CID 87112802

IUPAC2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
SMILESCC(C)(CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2,6-12)15(13,14)5-3-4-8(9,10)11/h3-6,12H2,1-2H3
InChIKeyBFJKRIZPVMQJFQ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.48
Rot. Bonds5

About 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine

2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine (PubChem CID 87112802) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
PubChem CID87112802
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
SMILESCC(C)(CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2,6-12)15(13,14)5-3-4-8(9,10)11/h3-6,12H2,1-2H3
InChIKeyBFJKRIZPVMQJFQ-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine (CID 87112802) is 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine is CC(C)(CN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine?
The InChIKey is BFJKRIZPVMQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-7(2,6-12)15(13,14)5-3-4-8(9,10)11/h3-6,12H2,1-2H3.
What are the key properties of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine?
2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine has a molecular weight of 247.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine is sourced from PubChem (CID 87112802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).