N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine

C10H17F6NO2S — CID 103311776

IUPACN-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine
SMILESCCNC(CCCS(C)(=O)=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2S/c1-3-17-7(5-4-6-20(2,18)19)8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3
InChIKeyMKUYHSLWJXIWLJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.53
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine

N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine (PubChem CID 103311776) has the molecular formula C10H17F6NO2S and a molecular weight of 329.31 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine
PubChem CID103311776
Molecular FormulaC10H17F6NO2S
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC NameN-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine
SMILESCCNC(CCCS(C)(=O)=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2S/c1-3-17-7(5-4-6-20(2,18)19)8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3
InChIKeyMKUYHSLWJXIWLJ-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine (CID 103311776) is N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine is CCNC(CCCS(C)(=O)=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine?
The InChIKey is MKUYHSLWJXIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO2S/c1-3-17-7(5-4-6-20(2,18)19)8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine?
N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine has a molecular weight of 329.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine is sourced from PubChem (CID 103311776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).