N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine

C13H6F4N2O — CID 169001743

IUPACN-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc(Nc2nc3cc(F)c(F)cc3o2)cc1F
InChIInChI=1S/C13H6F4N2O/c14-7-2-1-6(3-8(7)15)18-13-19-11-4-9(16)10(17)5-12(11)20-13/h1-5H,(H,18,19)
InChIKeyLYIOLPNMRZVZOU-UHFFFAOYSA-N
MW282.20 g/mol
LogP4.13
Rot. Bonds2

About N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine

N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine (PubChem CID 169001743) has the molecular formula C13H6F4N2O and a molecular weight of 282.20 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine
PubChem CID169001743
Molecular FormulaC13H6F4N2O
Molecular Weight282.20 g/mol
Exact Mass282.04
IUPAC NameN-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc(Nc2nc3cc(F)c(F)cc3o2)cc1F
InChIInChI=1S/C13H6F4N2O/c14-7-2-1-6(3-8(7)15)18-13-19-11-4-9(16)10(17)5-12(11)20-13/h1-5H,(H,18,19)
InChIKeyLYIOLPNMRZVZOU-UHFFFAOYSA-N
XLogP4.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine (CID 169001743) is N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine is Fc1ccc(Nc2nc3cc(F)c(F)cc3o2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine?
The InChIKey is LYIOLPNMRZVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2O/c14-7-2-1-6(3-8(7)15)18-13-19-11-4-9(16)10(17)5-12(11)20-13/h1-5H,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine?
N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine has a molecular weight of 282.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 169001743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).