N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine

C16H13F2N3 — CID 115523823

IUPACN-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
SMILESFC(F)c1ccc(CNc2ccc3nccnc3c2)cc1
InChIInChI=1S/C16H13F2N3/c17-16(18)12-3-1-11(2-4-12)10-21-13-5-6-14-15(9-13)20-8-7-19-14/h1-9,16,21H,10H2
InChIKeyXEKWSATWPHVKJB-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.18
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine

N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine (PubChem CID 115523823) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
PubChem CID115523823
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
SMILESFC(F)c1ccc(CNc2ccc3nccnc3c2)cc1
InChIInChI=1S/C16H13F2N3/c17-16(18)12-3-1-11(2-4-12)10-21-13-5-6-14-15(9-13)20-8-7-19-14/h1-9,16,21H,10H2
InChIKeyXEKWSATWPHVKJB-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine (CID 115523823) is N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine is FC(F)c1ccc(CNc2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine?
The InChIKey is XEKWSATWPHVKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-16(18)12-3-1-11(2-4-12)10-21-13-5-6-14-15(9-13)20-8-7-19-14/h1-9,16,21H,10H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine?
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine has a molecular weight of 285.30 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine is sourced from PubChem (CID 115523823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).