1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine

C10H20F3NO2S — CID 63192587

IUPAC1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-6-14-9(8-10(11,12)13)5-4-7-17(2,15)16/h9,14H,3-8H2,1-2H3
InChIKeyGLFLYJRCRLAFJG-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.13
Rot. Bonds8

About 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine

1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine (PubChem CID 63192587) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine
PubChem CID63192587
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC Name1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-6-14-9(8-10(11,12)13)5-4-7-17(2,15)16/h9,14H,3-8H2,1-2H3
InChIKeyGLFLYJRCRLAFJG-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.13
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-propylhexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine (CID 63192587) is 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine?
The InChIKey is GLFLYJRCRLAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-3-6-14-9(8-10(11,12)13)5-4-7-17(2,15)16/h9,14H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine?
1,1,1-trifluoro-6-methylsulfonyl-N-propylhexan-3-amine has a molecular weight of 275.34 g/mol, XLogP of 2.13, 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-propylhexan-3-amine is sourced from PubChem (CID 63192587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).