2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine

C8H14F3NOS — CID 115751228

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyKYVGWCVIPDZJJV-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.01
Rot. Bonds4

About 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine (PubChem CID 115751228) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
PubChem CID115751228
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyKYVGWCVIPDZJJV-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.01
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-(2,2-difluoroethyl)-2-methyloxolan-3-amine
CID 82719371
2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
CID 82722832
2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
CID 82726284
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 102671456
N-(1,1-difluoropropan-2-yl)-2-methyloxolan-3-amine
CID 102869944
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylthiolan-3-amine
CID 103083068
2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine
CID 103529614
3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 103778133
1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104531020
2,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
CID 105661716
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427168
2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 115338764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine (CID 115751228) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine is CC1OCCC1NCCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The InChIKey is KYVGWCVIPDZJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine has a molecular weight of 229.27 g/mol, XLogP of 2.01, 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]oxolan-3-amine is sourced from PubChem (CID 115751228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).