N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine

C9H18F3NO2S — CID 63192586

IUPACN-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
SMILESCCNC(CCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-3-13-8(7-9(10,11)12)5-4-6-16(2,14)15/h8,13H,3-7H2,1-2H3
InChIKeyPQJCEFFRDUAHNZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.74
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine

N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine (PubChem CID 63192586) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
PubChem CID63192586
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
SMILESCCNC(CCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-3-13-8(7-9(10,11)12)5-4-6-16(2,14)15/h8,13H,3-7H2,1-2H3
InChIKeyPQJCEFFRDUAHNZ-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
N-ethyl-6,8,8-trimethyl-1-methylsulfonylnonan-4-amine
CID 115820792
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
N-ethyl-1,1,1-trifluoropentan-3-amine
CID 55149830
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
CID 62604483
(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105215617
N-ethyl-7-ethylsulfonylhept-1-en-4-amine
CID 116660795
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine (CID 63192586) is N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine is CCNC(CCCS(C)(=O)=O)CC(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine?
The InChIKey is PQJCEFFRDUAHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-3-13-8(7-9(10,11)12)5-4-6-16(2,14)15/h8,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine?
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine has a molecular weight of 261.31 g/mol, XLogP of 1.74, 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-methylsulfonylhexan-3-amine is sourced from PubChem (CID 63192586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).