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

C12H22F3NO2 — CID 62718672

IUPACN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C12H22F3NO2/c1-2-5-16-8-11(3-6-17-9-11)4-7-18-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyCVPBUHPQJGUTFC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds8

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

N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62718672) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62718672
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C12H22F3NO2/c1-2-5-16-8-11(3-6-17-9-11)4-7-18-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyCVPBUHPQJGUTFC-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
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-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine (CID 62718672) is N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is CVPBUHPQJGUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-5-16-8-11(3-6-17-9-11)4-7-18-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62718672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).