(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene

C7H8ClF3 — CID 87430192

IUPAC(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene
SMILESC=C/C=C\C(Cl)CC(F)(F)F
InChIInChI=1S/C7H8ClF3/c1-2-3-4-6(8)5-7(9,10)11/h2-4,6H,1,5H2/b4-3-
InChIKeyXJJCBZSYIAOWNG-ARJAWSKDSA-N
MW184.59 g/mol
LogP3.29
Rot. Bonds3

About (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene

(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene (PubChem CID 87430192) has the molecular formula C7H8ClF3 and a molecular weight of 184.59 g/mol. Its IUPAC name is (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene
PubChem CID87430192
Molecular FormulaC7H8ClF3
Molecular Weight184.59 g/mol
Exact Mass184.03
IUPAC Name(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene
SMILESC=C/C=C\C(Cl)CC(F)(F)F
InChIInChI=1S/C7H8ClF3/c1-2-3-4-6(8)5-7(9,10)11/h2-4,6H,1,5H2/b4-3-
InChIKeyXJJCBZSYIAOWNG-ARJAWSKDSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-6-chloro-2-fluorohexa-1,3-diene
CID 134853874
7-Chloro-1,1,1-trifluorohept-2-ene
CID 77114659
(E)-6-chloro-1,1,1-trifluorohex-2-ene
CID 177852852
5-Chloro-5,6,6-trifluoro-cyclohexa-1,3-diene
CID 6422850
5-Chloro-1-fluorocyclohexa-1,3-diene
CID 18377253
6-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18457038
5-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22498002
7-Chloro-4-fluorohepta-1,2,4-triene
CID 57236239
2,5-Dichloro-1,4,4-trifluoroocta-2,6-diene
CID 57321708
6-Chloro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 69024764
6-Chloro-2-fluorocyclohexa-1,3-diene
CID 89136239
(5R)-5-chloro-1,3-difluorocyclohexa-1,3-diene
CID 89391117

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene?
The IUPAC name of (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene (CID 87430192) is (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene.
What is the SMILES notation for (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene?
The canonical SMILES for (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene is C=C/C=C\C(Cl)CC(F)(F)F.
What is the InChIKey of (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene?
The InChIKey is XJJCBZSYIAOWNG-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H8ClF3/c1-2-3-4-6(8)5-7(9,10)11/h2-4,6H,1,5H2/b4-3-.
What are the key properties of (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene?
(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene has a molecular weight of 184.59 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene is sourced from PubChem (CID 87430192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).