N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine

C12H22F3NO2 — CID 62719916

IUPACN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C12H22F3NO2/c1-2-16-8-11(5-7-18-9-11)4-3-6-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyLYMOPZXSJBTZDH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds8

About N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62719916) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62719916
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C12H22F3NO2/c1-2-16-8-11(5-7-18-9-11)4-3-6-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyLYMOPZXSJBTZDH-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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Related Compounds

CID 132398658
CID 132398658
CID 155190618
CID 155190618
CID 55106752
CID 55106752
CID 55106802
CID 55106802
CID 55107180
CID 55107180
CID 55118523
CID 55118523
CID 55149571
CID 55149571
CID 55151608
CID 55151608
CID 62717832
CID 62717832
CID 62717837
CID 62717837
CID 62717865
CID 62717865
CID 62718051
CID 62718051

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine (CID 62719916) is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is LYMOPZXSJBTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-16-8-11(5-7-18-9-11)4-3-6-17-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine 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-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62719916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).