2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine

C6H12F3NO2S — CID 134335454

IUPAC2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine
SMILESCC(C)(C)C(N)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(2,3)4(10)13(11,12)6(7,8)9/h4H,10H2,1-3H3
InChIKeyBEOOAIGCALOMRP-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.25
Rot. Bonds1

About 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine

2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine (PubChem CID 134335454) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine
PubChem CID134335454
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine
SMILESCC(C)(C)C(N)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(2,3)4(10)13(11,12)6(7,8)9/h4H,10H2,1-3H3
InChIKeyBEOOAIGCALOMRP-UHFFFAOYSA-N
XLogP1.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine (CID 134335454) is 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine is CC(C)(C)C(N)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine?
The InChIKey is BEOOAIGCALOMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-5(2,3)4(10)13(11,12)6(7,8)9/h4H,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine?
2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine has a molecular weight of 219.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine is sourced from PubChem (CID 134335454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).