4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline

C10H12F2N2 — CID 60922941

IUPAC4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
SMILESFC(F)CN1CCNc2ccccc21
InChIInChI=1S/C10H12F2N2/c11-10(12)7-14-6-5-13-8-3-1-2-4-9(8)14/h1-4,10,13H,5-7H2
InChIKeyUUHKQMQHWAMBLI-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.18
Rot. Bonds2

About 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline

4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 60922941) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID60922941
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
SMILESFC(F)CN1CCNc2ccccc21
InChIInChI=1S/C10H12F2N2/c11-10(12)7-14-6-5-13-8-3-1-2-4-9(8)14/h1-4,10,13H,5-7H2
InChIKeyUUHKQMQHWAMBLI-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
CID 54961069
4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 60810607
1-(2,2-difluoroethyl)imidazolidin-2-one
CID 87326984
4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 106453436
5-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pentanenitrile
CID 115311358
4-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-quinoxaline
CID 28796776
5-[(3-bromo-5-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311446
2-(3,4-dihydro-2H-quinoxalin-1-yl)-N-ethyl-N-phenylacetamide
CID 83510562
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline (CID 60922941) is 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline is FC(F)CN1CCNc2ccccc21.
What is the InChIKey of 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is UUHKQMQHWAMBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-10(12)7-14-6-5-13-8-3-1-2-4-9(8)14/h1-4,10,13H,5-7H2.
What are the key properties of 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline?
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 198.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 60922941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).