N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine

C13H6ClF3N2O — CID 11220265

IUPACN-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine
SMILESFc1cc(Cl)ccc1Nc1nc2ccc(F)c(F)c2o1
InChIInChI=1S/C13H6ClF3N2O/c14-6-1-3-9(8(16)5-6)18-13-19-10-4-2-7(15)11(17)12(10)20-13/h1-5H,(H,18,19)
InChIKeyMYGAWOZDYYSRMP-UHFFFAOYSA-N
MW298.65 g/mol
LogP4.64
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine

N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine (PubChem CID 11220265) has the molecular formula C13H6ClF3N2O and a molecular weight of 298.65 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine
PubChem CID11220265
Molecular FormulaC13H6ClF3N2O
Molecular Weight298.65 g/mol
Exact Mass298.01
IUPAC NameN-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine
SMILESFc1cc(Cl)ccc1Nc1nc2ccc(F)c(F)c2o1
InChIInChI=1S/C13H6ClF3N2O/c14-6-1-3-9(8(16)5-6)18-13-19-10-4-2-7(15)11(17)12(10)20-13/h1-5H,(H,18,19)
InChIKeyMYGAWOZDYYSRMP-UHFFFAOYSA-N
XLogP4.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine (CID 11220265) is N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine is Fc1cc(Cl)ccc1Nc1nc2ccc(F)c(F)c2o1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine?
The InChIKey is MYGAWOZDYYSRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O/c14-6-1-3-9(8(16)5-6)18-13-19-10-4-2-7(15)11(17)12(10)20-13/h1-5H,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine?
N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine has a molecular weight of 298.65 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6,7-difluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 11220265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).