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

C11H19F6NO2S — CID 103311775

IUPAC1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO2S/c1-3-6-18-8(5-4-7-21(2,19)20)9(10(12,13)14)11(15,16)17/h8-9,18H,3-7H2,1-2H3
InChIKeyOFCAABQULBQBEB-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.92
Rot. Bonds8

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

1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine (PubChem CID 103311775) has the molecular formula C11H19F6NO2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine
PubChem CID103311775
Molecular FormulaC11H19F6NO2S
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO2S/c1-3-6-18-8(5-4-7-21(2,19)20)9(10(12,13)14)11(15,16)17/h8-9,18H,3-7H2,1-2H3
InChIKeyOFCAABQULBQBEB-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine (CID 103311775) is 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine is CCCNC(CCCS(C)(=O)=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine?
The InChIKey is OFCAABQULBQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO2S/c1-3-6-18-8(5-4-7-21(2,19)20)9(10(12,13)14)11(15,16)17/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine?
1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine has a molecular weight of 343.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine is sourced from PubChem (CID 103311775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).