4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C10H18F2N2 — CID 130581237

IUPAC4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESFC(F)CN1CCNC2CCCCC21
InChIInChI=1S/C10H18F2N2/c11-10(12)7-14-6-5-13-8-3-1-2-4-9(8)14/h8-10,13H,1-7H2
InChIKeyCOPRKOWITAGDRX-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds2

About 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 130581237) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID130581237
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESFC(F)CN1CCNC2CCCCC21
InChIInChI=1S/C10H18F2N2/c11-10(12)7-14-6-5-13-8-3-1-2-4-9(8)14/h8-10,13H,1-7H2
InChIKeyCOPRKOWITAGDRX-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(4aR,8aR)-decahydroquinoxaline
CID 28409949
1-(4,4-Difluorocyclohexyl)piperazine
CID 130949503
(4AR,8AR)-Decahydroquinoxaline
CID 15650611
Tetradecahydrophenazine
CID 5246377
cis-Decahydro-quinoxaline
CID 15650612
Decahydroquinoxaline
CID 17906435
(2S,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 24744083
(2R,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 101454889
2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
1-(2,2,2-Trifluoro-ethyl)-decahydro-quinoxaline
CID 58110330
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 58110334
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 62967876

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 130581237) is 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is FC(F)CN1CCNC2CCCCC21.
What is the InChIKey of 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is COPRKOWITAGDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)7-14-6-5-13-8-3-1-2-4-9(8)14/h8-10,13H,1-7H2.
What are the key properties of 4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 204.26 g/mol, XLogP of 1.47, 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)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 130581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).