[3-(difluoromethyl)quinoxalin-2-yl]carbamic acid

C10H7F2N3O2 — CID 155102076

IUPAC[3-(difluoromethyl)quinoxalin-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccccc2nc1C(F)F
InChIInChI=1S/C10H7F2N3O2/c11-8(12)7-9(15-10(16)17)14-6-4-2-1-3-5(6)13-7/h1-4,8H,(H,14,15)(H,16,17)
InChIKeyDGJUXIRGIGGBJU-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.66
Rot. Bonds2

About [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid

[3-(difluoromethyl)quinoxalin-2-yl]carbamic acid (PubChem CID 155102076) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-(difluoromethyl)quinoxalin-2-yl]carbamic acid
PubChem CID155102076
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name[3-(difluoromethyl)quinoxalin-2-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccccc2nc1C(F)F
InChIInChI=1S/C10H7F2N3O2/c11-8(12)7-9(15-10(16)17)14-6-4-2-1-3-5(6)13-7/h1-4,8H,(H,14,15)(H,16,17)
InChIKeyDGJUXIRGIGGBJU-UHFFFAOYSA-N
XLogP2.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid?
The IUPAC name of [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid (CID 155102076) is [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid.
What is the SMILES notation for [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid?
The canonical SMILES for [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid is O=C(O)Nc1nc2ccccc2nc1C(F)F.
What is the InChIKey of [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid?
The InChIKey is DGJUXIRGIGGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-8(12)7-9(15-10(16)17)14-6-4-2-1-3-5(6)13-7/h1-4,8H,(H,14,15)(H,16,17).
What are the key properties of [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid?
[3-(difluoromethyl)quinoxalin-2-yl]carbamic acid has a molecular weight of 239.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)quinoxalin-2-yl]carbamic acid is sourced from PubChem (CID 155102076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).