[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine

C14H12F2N2O — CID 67962481

IUPAC[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
SMILESNCC1COc2ccc(-c3cc(F)cc(F)c3)nc21
InChIInChI=1S/C14H12F2N2O/c15-10-3-8(4-11(16)5-10)12-1-2-13-14(18-12)9(6-17)7-19-13/h1-5,9H,6-7,17H2
InChIKeyKLENJBLJRSTKKD-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.46
Rot. Bonds2

About [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine

[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine (PubChem CID 67962481) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
PubChem CID67962481
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
SMILESNCC1COc2ccc(-c3cc(F)cc(F)c3)nc21
InChIInChI=1S/C14H12F2N2O/c15-10-3-8(4-11(16)5-10)12-1-2-13-14(18-12)9(6-17)7-19-13/h1-5,9H,6-7,17H2
InChIKeyKLENJBLJRSTKKD-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
The IUPAC name of [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine (CID 67962481) is [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
The canonical SMILES for [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine is NCC1COc2ccc(-c3cc(F)cc(F)c3)nc21.
What is the InChIKey of [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
The InChIKey is KLENJBLJRSTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-10-3-8(4-11(16)5-10)12-1-2-13-14(18-12)9(6-17)7-19-13/h1-5,9H,6-7,17H2.
What are the key properties of [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine?
[5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine has a molecular weight of 262.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 67962481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).