(4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate

C18H16F2N2O2 — CID 102600307

IUPAC(4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate
SMILESCC(=O)OCC1(C)Cc2ccc(F)cc2-c2cc(F)ccc2/N=N\1
InChIInChI=1S/C18H16F2N2O2/c1-11(23)24-10-18(2)9-12-3-4-13(19)7-15(12)16-8-14(20)5-6-17(16)21-22-18/h3-8H,9-10H2,1-2H3/b22-21-
InChIKeyYZJFIGMBUQOXQB-DQRAZIAOSA-N
MW330.33 g/mol
LogP4.59
Rot. Bonds2

About (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate

(4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate (PubChem CID 102600307) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate.

Molecular Properties

Compound Name(4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate
PubChem CID102600307
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate
SMILESCC(=O)OCC1(C)Cc2ccc(F)cc2-c2cc(F)ccc2/N=N\1
InChIInChI=1S/C18H16F2N2O2/c1-11(23)24-10-18(2)9-12-3-4-13(19)7-15(12)16-8-14(20)5-6-17(16)21-22-18/h3-8H,9-10H2,1-2H3/b22-21-
InChIKeyYZJFIGMBUQOXQB-DQRAZIAOSA-N
XLogP4.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate 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

[3-[4-(Trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]diazenyl]propyl] acetate
CID 11847398
[3-(4-Fluorophenyl)-2-[(4-fluorophenyl)diazenyl]-2-methylpropyl] acetate
CID 101867443
(3-Phenyl-2-phenyldiazenylpropyl) acetate
CID 102256502
(2-Methyl-3-phenyl-2-phenyldiazenylpropyl) acetate
CID 135026274
[3-(4-Fluorophenyl)-2-[(4-fluorophenyl)diazenyl]propyl] acetate
CID 16091181
6-[4-[[4-(Trifluoromethyl)phenyl]diazenyl]phenyl]hexyl propanoate
CID 101128312
[(2S)-3-(4-fluorophenyl)-2-[(4-fluorophenyl)diazenyl]-2-methylpropyl] acetate
CID 101573417
6-(4-Phenyldiazenylphenyl)hexyl propanoate
CID 101128308
6-[4-[(4-Methylphenyl)diazenyl]phenyl]hexyl propanoate
CID 101128310
[(2S)-3-(4-iodophenyl)-2-[(4-iodophenyl)diazenyl]-2-methylpropyl] acetate
CID 101573418
2-(10-Methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate
CID 102600305
(10-Methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)methyl acetate
CID 102600310

Frequently Asked Questions

What is the IUPAC name of (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate?
The IUPAC name of (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate (CID 102600307) is (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate.
What is the SMILES notation for (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate?
The canonical SMILES for (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate is CC(=O)OCC1(C)Cc2ccc(F)cc2-c2cc(F)ccc2/N=N\1.
What is the InChIKey of (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate?
The InChIKey is YZJFIGMBUQOXQB-DQRAZIAOSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-11(23)24-10-18(2)9-12-3-4-13(19)7-15(12)16-8-14(20)5-6-17(16)21-22-18/h3-8H,9-10H2,1-2H3/b22-21-.
What are the key properties of (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate?
(4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate has a molecular weight of 330.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,15-difluoro-10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,8,13,15-heptaen-10-yl)methyl acetate is sourced from PubChem (CID 102600307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).