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

C16H13ClF2 — CID 88679861

IUPAC(2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
SMILESFC1=CC=C/C2=C/C3=C(C=CCC3F)/C=C\C(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/b8-7-,11-9-
InChIKeyZHWGGULCAHVXEW-JCBKOVKPSA-N
MW278.73 g/mol
LogP4.72
Rot. Bonds

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

(2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene (PubChem CID 88679861) has the molecular formula C16H13ClF2 and a molecular weight of 278.73 g/mol. Its IUPAC name is (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene.

Molecular Properties

Compound Name(2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
PubChem CID88679861
Molecular FormulaC16H13ClF2
Molecular Weight278.73 g/mol
Exact Mass278.07
IUPAC Name(2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
SMILESFC1=CC=C/C2=C/C3=C(C=CCC3F)/C=C\C(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/b8-7-,11-9-
InChIKeyZHWGGULCAHVXEW-JCBKOVKPSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The IUPAC name of (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene (CID 88679861) is (2Z,10Z)-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 (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The canonical SMILES for (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene is FC1=CC=C/C2=C/C3=C(C=CCC3F)/C=C\C(Cl)C12.
What is the InChIKey of (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
The InChIKey is ZHWGGULCAHVXEW-JCBKOVKPSA-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/b8-7-,11-9-.
What are the key properties of (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene?
(2Z,10Z)-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 (2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene is sourced from PubChem (CID 88679861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).