10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one

C13H14F2N2O2 — CID 115510106

IUPAC10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
SMILESCCN1c2cc(F)cc(F)c2NC(=O)C2COCC21
InChIInChI=1S/C13H14F2N2O2/c1-2-17-10-4-7(14)3-9(15)12(10)16-13(18)8-5-19-6-11(8)17/h3-4,8,11H,2,5-6H2,1H3,(H,16,18)
InChIKeyFKVLWRXXMOMMCF-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.76
Rot. Bonds1

About 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one

10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 115510106) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID115510106
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
SMILESCCN1c2cc(F)cc(F)c2NC(=O)C2COCC21
InChIInChI=1S/C13H14F2N2O2/c1-2-17-10-4-7(14)3-9(15)12(10)16-13(18)8-5-19-6-11(8)17/h3-4,8,11H,2,5-6H2,1H3,(H,16,18)
InChIKeyFKVLWRXXMOMMCF-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one with MolForge

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Related Compounds

10-ethyl-7-(trifluoromethyl)-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 115502343
4-ethyl-6,8-difluoro-1,3-dihydroquinoxalin-2-one
CID 115510094
4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 115510079
3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84625224
2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510048
7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 79295779
1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
CID 66247469
9-chloro-10-propyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 79296226
7,10-dimethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 79295420
1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115510067
2-ethyl-5,7-difluoro-4H-1,4-benzothiazin-3-one
CID 105356058
2,4-difluoro-6a,7-dihydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510050

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one (CID 115510106) is 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one is CCN1c2cc(F)cc(F)c2NC(=O)C2COCC21.
What is the InChIKey of 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is FKVLWRXXMOMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-2-17-10-4-7(14)3-9(15)12(10)16-13(18)8-5-19-6-11(8)17/h3-4,8,11H,2,5-6H2,1H3,(H,16,18).
What are the key properties of 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one?
10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 268.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 115510106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).