[5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine

C13H14F5NO — CID 11716308

IUPAC[5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1
InChIInChI=1S/C13H14F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)4-3-6-1-2-7(5-19)20-6/h6-7H,1-5,19H2
InChIKeyIBMMANZZPBFJNC-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.82
Rot. Bonds4

About [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine

[5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine (PubChem CID 11716308) has the molecular formula C13H14F5NO and a molecular weight of 295.25 g/mol. Its IUPAC name is [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine
PubChem CID11716308
Molecular FormulaC13H14F5NO
Molecular Weight295.25 g/mol
Exact Mass295.10
IUPAC Name[5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1
InChIInChI=1S/C13H14F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)4-3-6-1-2-7(5-19)20-6/h6-7H,1-5,19H2
InChIKeyIBMMANZZPBFJNC-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
2-[5-[2-(4-Fluorophenyl)ethyl]oxolan-2-yl]ethanamine
CID 11499649
[5-[2-(4-Fluorophenyl)ethyl]oxolan-2-yl]methanamine
CID 11593773
[5-[2-(4-Fluoro-3-methylphenyl)ethyl]oxolan-2-yl]methanamine
CID 59825606
[5-[1,1,2,2-Tetrafluoro-2-(2-fluorophenyl)ethyl]oxolan-2-yl]methanamine
CID 87423637
[5-[1-Fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine
CID 87423642
[2-[(2,4-Difluorophenyl)methyl]oxolan-2-yl]methanamine
CID 176776912
2-(3-Fluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 61077984
2-(4-Fluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 61078868
2-(2-Fluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 61079641
1-(3,5-Difluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164445
2-[(4-Fluorophenyl)methyl]-4-(oxolan-2-yl)butan-1-amine
CID 65166014

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine (CID 11716308) is [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine is NCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1.
What is the InChIKey of [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine?
The InChIKey is IBMMANZZPBFJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)4-3-6-1-2-7(5-19)20-6/h6-7H,1-5,19H2.
What are the key properties of [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine?
[5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine has a molecular weight of 295.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 11716308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).