[5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine

C12H16FNO2 — CID 11492305

IUPAC[5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1C1CCC(CN)O1
InChIInChI=1S/C12H16FNO2/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2,4,6,9,12H,3,5,7,14H2,1H3
InChIKeyAZMKBJHIXZCVNL-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds3

About [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine

[5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine (PubChem CID 11492305) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
PubChem CID11492305
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1C1CCC(CN)O1
InChIInChI=1S/C12H16FNO2/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2,4,6,9,12H,3,5,7,14H2,1H3
InChIKeyAZMKBJHIXZCVNL-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine (CID 11492305) is [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine is COc1ccc(F)cc1C1CCC(CN)O1.
What is the InChIKey of [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
The InChIKey is AZMKBJHIXZCVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2,4,6,9,12H,3,5,7,14H2,1H3.
What are the key properties of [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
[5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine has a molecular weight of 225.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 11492305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).