2-(2,5-difluorophenyl)oxan-3-amine

C11H13F2NO — CID 79365961

IUPAC2-(2,5-difluorophenyl)oxan-3-amine
SMILESNC1CCCOC1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c12-7-3-4-9(13)8(6-7)11-10(14)2-1-5-15-11/h3-4,6,10-11H,1-2,5,14H2
InChIKeyZRNIMMLHEUNQDC-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.14
Rot. Bonds1

About 2-(2,5-difluorophenyl)oxan-3-amine

2-(2,5-difluorophenyl)oxan-3-amine (PubChem CID 79365961) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)oxan-3-amine
PubChem CID79365961
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(2,5-difluorophenyl)oxan-3-amine
SMILESNC1CCCOC1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c12-7-3-4-9(13)8(6-7)11-10(14)2-1-5-15-11/h3-4,6,10-11H,1-2,5,14H2
InChIKeyZRNIMMLHEUNQDC-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)oxan-3-amine?
The IUPAC name of 2-(2,5-difluorophenyl)oxan-3-amine (CID 79365961) is 2-(2,5-difluorophenyl)oxan-3-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)oxan-3-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)oxan-3-amine is NC1CCCOC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)oxan-3-amine?
The InChIKey is ZRNIMMLHEUNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-7-3-4-9(13)8(6-7)11-10(14)2-1-5-15-11/h3-4,6,10-11H,1-2,5,14H2.
What are the key properties of 2-(2,5-difluorophenyl)oxan-3-amine?
2-(2,5-difluorophenyl)oxan-3-amine has a molecular weight of 213.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)oxan-3-amine is sourced from PubChem (CID 79365961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).