4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

C16H16F2N2 — CID 105404987

IUPAC4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2N2/c1-11-9-19-15-4-2-3-5-16(15)20(11)10-12-6-13(17)8-14(18)7-12/h2-8,11,19H,9-10H2,1H3
InChIKeyDMMAUKFWRADZSN-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.79
Rot. Bonds2

About 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline

4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 105404987) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID105404987
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2N2/c1-11-9-19-15-4-2-3-5-16(15)20(11)10-12-6-13(17)8-14(18)7-12/h2-8,11,19H,9-10H2,1H3
InChIKeyDMMAUKFWRADZSN-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline (CID 105404987) is 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is DMMAUKFWRADZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c1-11-9-19-15-4-2-3-5-16(15)20(11)10-12-6-13(17)8-14(18)7-12/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline?
4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 274.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 105404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).