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

C11H20F3NO2 — CID 103581117

IUPAC2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9-10(2,4-7-17-9)15-5-3-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyHOPUZUGHIBEZGM-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

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

2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine (PubChem CID 103581117) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
PubChem CID103581117
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9-10(2,4-7-17-9)15-5-3-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyHOPUZUGHIBEZGM-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
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-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine (CID 103581117) is 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine is CC1OCCC1(C)NCCCOCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
The InChIKey is HOPUZUGHIBEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9-10(2,4-7-17-9)15-5-3-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine?
2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-amine is sourced from PubChem (CID 103581117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).