4-(2,5-difluorophenyl)oxan-4-amine

C11H13F2NO — CID 63220131

IUPAC4-(2,5-difluorophenyl)oxan-4-amine
SMILESNC1(c2cc(F)ccc2F)CCOCC1
InChIInChI=1S/C11H13F2NO/c12-8-1-2-10(13)9(7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2
InChIKeyPVDDIKIZZKJFKY-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.93
Rot. Bonds1

About 4-(2,5-difluorophenyl)oxan-4-amine

4-(2,5-difluorophenyl)oxan-4-amine (PubChem CID 63220131) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)oxan-4-amine
PubChem CID63220131
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(2,5-difluorophenyl)oxan-4-amine
SMILESNC1(c2cc(F)ccc2F)CCOCC1
InChIInChI=1S/C11H13F2NO/c12-8-1-2-10(13)9(7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2
InChIKeyPVDDIKIZZKJFKY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)oxan-4-amine?
The IUPAC name of 4-(2,5-difluorophenyl)oxan-4-amine (CID 63220131) is 4-(2,5-difluorophenyl)oxan-4-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)oxan-4-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)oxan-4-amine is NC1(c2cc(F)ccc2F)CCOCC1.
What is the InChIKey of 4-(2,5-difluorophenyl)oxan-4-amine?
The InChIKey is PVDDIKIZZKJFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-1-2-10(13)9(7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2.
What are the key properties of 4-(2,5-difluorophenyl)oxan-4-amine?
4-(2,5-difluorophenyl)oxan-4-amine has a molecular weight of 213.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)oxan-4-amine is sourced from PubChem (CID 63220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).