N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H20F3NO2 — CID 54961816

IUPACN-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(NCCCOCC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO2/c1-9(10-4-2-7-17-10)15-5-3-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyOCRPBUCIGGREMZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds7

About N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 54961816) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID54961816
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(NCCCOCC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO2/c1-9(10-4-2-7-17-10)15-5-3-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyOCRPBUCIGGREMZ-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 54961816) is N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(NCCCOCC(F)(F)F)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OCRPBUCIGGREMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(10-4-2-7-17-10)15-5-3-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 54961816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).