2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

C9H16F3NOS — CID 103910410

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCC1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3NOS/c1-7-6-8(2-4-14-7)13-3-5-15-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyDVNDPVRARGQLCZ-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (PubChem CID 103910410) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
PubChem CID103910410
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCC1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3NOS/c1-7-6-8(2-4-14-7)13-3-5-15-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyDVNDPVRARGQLCZ-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435242
2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102695
2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106296
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thian-3-amine
CID 79956943
N-ethyl-4,4,4-trifluoro-1-(1,4-oxathian-2-yl)butan-1-amine
CID 79963151
4,4,4-trifluoro-1-(1,4-oxathian-2-yl)-N-propylbutan-1-amine
CID 79963167
4,4,4-trifluoro-N-methyl-1-(1,4-oxathian-2-yl)butan-1-amine
CID 79963532
2,6-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 81850306
2,6-dimethyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 81851670
N-(2,2-difluoroethyl)-2,6-dimethyloxan-4-amine
CID 81851987
2,6-dimethyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 81852006
N-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]cyclohexan-1-amine
CID 102633165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (CID 103910410) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is CC1CC(NCCSC(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is DVNDPVRARGQLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7-6-8(2-4-14-7)13-3-5-15-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 243.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 103910410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).