9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene

C16H13ClF2 — CID 54547923

IUPAC9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
SMILESFC1=CC=CC2=CC3=C(C=CCC3F)C=CC(Cl)C12
InChIInChI=1S/C16H13ClF2/c17-13-8-7-10-3-1-5-14(18)12(10)9-11-4-2-6-15(19)16(11)13/h1-4,6-9,13-14,16H,5H2
InChIKeyZHWGGULCAHVXEW-UHFFFAOYSA-N
MW278.73 g/mol
LogP4.72
Rot. Bonds

About 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene

9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene (PubChem CID 54547923) has the molecular formula C16H13ClF2 and a molecular weight of 278.73 g/mol. Its IUPAC name is 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene.

Molecular Properties

Compound Name9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
PubChem CID54547923
Molecular FormulaC16H13ClF2
Molecular Weight278.73 g/mol
Exact Mass278.07
IUPAC Name9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
SMILESFC1=CC=CC2=CC3=C(C=CCC3F)C=CC(Cl)C12
InChIInChI=1S/C16H13ClF2/c17-13-8-7-10-3-1-5-14(18)12(10)9-11-4-2-6-15(19)16(11)13/h1-4,6-9,13-14,16H,5H2
InChIKeyZHWGGULCAHVXEW-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene 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

(1Z,8Z)-11-chloro-4,13-difluorotricyclo[10.4.0.03,8]hexadeca-1,3,6,8,12,14-hexaene
CID 20232222
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
(2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
CID 88679861
3-[2-(1-Chloropropan-2-yl)hepta-2,4-dienyl]-5-fluoro-1,6-dimethylcyclohexa-1,3-diene
CID 91165582
5-(Chloromethyl)-2-(4-fluorobutan-2-yl)cyclohexa-1,3-diene
CID 134316621
5-(2-Chloroethyl)-2,5-difluorocyclohexa-1,3-diene
CID 152300592
5-(1-Chloroethyl)-1,5-difluorocyclohexa-1,3-diene
CID 162700255
6-(Chloromethyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 163500102
5-Chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene
CID 166648070
5-(2-Chloroethyl)-2-fluorocyclohexa-1,3-diene
CID 173483115
5-Chloro-3-fluoro-1,6-dimethylcyclohexa-1,3-diene
CID 175621279
9,16-Dichlorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
CID 54489742

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The IUPAC name of 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene (CID 54547923) is 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene.
What is the SMILES notation for 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The canonical SMILES for 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene is FC1=CC=CC2=CC3=C(C=CCC3F)C=CC(Cl)C12.
What is the InChIKey of 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The InChIKey is ZHWGGULCAHVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2/c17-13-8-7-10-3-1-5-14(18)12(10)9-11-4-2-6-15(19)16(11)13/h1-4,6-9,13-14,16H,5H2.
What are the key properties of 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene has a molecular weight of 278.73 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene is sourced from PubChem (CID 54547923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).