1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine

C10H18F3NS2 — CID 103345417

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1SCC(C(N)CCC(F)(F)F)SC1C
InChIInChI=1S/C10H18F3NS2/c1-6-7(2)16-9(5-15-6)8(14)3-4-10(11,12)13/h6-9H,3-5,14H2,1-2H3
InChIKeyPYANUVOFWOMTBO-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.28
Rot. Bonds3

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine

1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 103345417) has the molecular formula C10H18F3NS2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID103345417
Molecular FormulaC10H18F3NS2
Molecular Weight273.39 g/mol
Exact Mass273.08
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1SCC(C(N)CCC(F)(F)F)SC1C
InChIInChI=1S/C10H18F3NS2/c1-6-7(2)16-9(5-15-6)8(14)3-4-10(11,12)13/h6-9H,3-5,14H2,1-2H3
InChIKeyPYANUVOFWOMTBO-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-6-(trifluoromethyl)thian-4-amine
CID 91004837
4-(4,4,5,5,5-Pentafluoropentylsulfanyl)butan-2-amine
CID 154072273
3-Cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 60885582
3-Cyclohexylsulfanyl-4,4,4-trifluorobutan-2-amine
CID 61647694
3-Butan-2-ylsulfanyl-4,4,4-trifluorobutan-2-amine
CID 61647959
2-Butan-2-ylsulfanyl-1,1,1-trifluoropentan-3-amine
CID 61647960
1,1,1-Trifluoro-2-propylsulfanylpentan-3-amine
CID 61648015
3-Butylsulfanyl-4,4,4-trifluorobutan-2-amine
CID 61648390
2-Butylsulfanyl-1,1,1-trifluoropentan-3-amine
CID 61648391
2-Cyclohexylsulfanyl-1,1,1-trifluoropentan-3-amine
CID 61648601
1,1,1-Trifluoro-2-propan-2-ylsulfanylpentan-3-amine
CID 61648603
1-Ethylsulfanyl-5,5,5-trifluoropentan-2-amine
CID 65128315

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine (CID 103345417) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine is CC1SCC(C(N)CCC(F)(F)F)SC1C.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is PYANUVOFWOMTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS2/c1-6-7(2)16-9(5-15-6)8(14)3-4-10(11,12)13/h6-9H,3-5,14H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine?
1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 273.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 103345417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).