2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

C10H18F3NO2 — CID 103581396

IUPAC2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(2,3-5-16-8)14-4-6-15-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyWERJHCQXFPEBLT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds5

About 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (PubChem CID 103581396) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
PubChem CID103581396
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(2,3-5-16-8)14-4-6-15-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyWERJHCQXFPEBLT-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
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

2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
N-(2-cyclopentyloxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63827667
5,5-Diethyl-2-(trifluoromethyl)morpholine
CID 63901507
N-propyl-3-(trifluoromethyl)oxolan-3-amine
CID 66206611
N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276626
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147
N-ethyl-3-methyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447222
3-methyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447317
3-(difluoromethyl)-N-propyloxolan-3-amine
CID 80605414
3-(difluoromethyl)-2-methyl-N-propyloxolan-3-amine
CID 82717350
N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine
CID 82717874
N-ethyl-2-methyl-3-(trifluoromethyl)oxolan-3-amine
CID 82718035

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (CID 103581396) is 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is CC1OCCC1(C)NCCOCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The InChIKey is WERJHCQXFPEBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8-9(2,3-5-16-8)14-4-6-15-7-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 103581396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).