[5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine

C13H14F5NO — CID 87423642

IUPAC[5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(C(F)Cc2cc(F)c(F)c(F)c2F)O1
InChIInChI=1S/C13H14F5NO/c14-8(10-2-1-7(5-19)20-10)3-6-4-9(15)12(17)13(18)11(6)16/h4,7-8,10H,1-3,5,19H2
InChIKeyZXSCIGZTWNYNKF-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.63
Rot. Bonds4

About [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine

[5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine (PubChem CID 87423642) has the molecular formula C13H14F5NO and a molecular weight of 295.25 g/mol. Its IUPAC name is [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine
PubChem CID87423642
Molecular FormulaC13H14F5NO
Molecular Weight295.25 g/mol
Exact Mass295.10
IUPAC Name[5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(C(F)Cc2cc(F)c(F)c(F)c2F)O1
InChIInChI=1S/C13H14F5NO/c14-8(10-2-1-7(5-19)20-10)3-6-4-9(15)12(17)13(18)11(6)16/h4,7-8,10H,1-3,5,19H2
InChIKeyZXSCIGZTWNYNKF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine (CID 87423642) is [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine is NCC1CCC(C(F)Cc2cc(F)c(F)c(F)c2F)O1.
What is the InChIKey of [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine?
The InChIKey is ZXSCIGZTWNYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO/c14-8(10-2-1-7(5-19)20-10)3-6-4-9(15)12(17)13(18)11(6)16/h4,7-8,10H,1-3,5,19H2.
What are the key properties of [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine?
[5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine has a molecular weight of 295.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-fluoro-2-(2,3,4,5-tetrafluorophenyl)ethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 87423642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).