[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine

C13H13F2NO2 — CID 55077160

IUPAC[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1cc(COc2ccc(F)c(F)c2)oc1CN
InChIInChI=1S/C13H13F2NO2/c1-8-4-10(18-13(8)6-16)7-17-9-2-3-11(14)12(15)5-9/h2-5H,6-7,16H2,1H3
InChIKeySPQFLPGVUSLMMN-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.90
Rot. Bonds4

About [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine

[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 55077160) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID55077160
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1cc(COc2ccc(F)c(F)c2)oc1CN
InChIInChI=1S/C13H13F2NO2/c1-8-4-10(18-13(8)6-16)7-17-9-2-3-11(14)12(15)5-9/h2-5H,6-7,16H2,1H3
InChIKeySPQFLPGVUSLMMN-UHFFFAOYSA-N
XLogP2.90
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine (CID 55077160) is [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine is Cc1cc(COc2ccc(F)c(F)c2)oc1CN.
What is the InChIKey of [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is SPQFLPGVUSLMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-8-4-10(18-13(8)6-16)7-17-9-2-3-11(14)12(15)5-9/h2-5H,6-7,16H2,1H3.
What are the key properties of [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 253.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 55077160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).