acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene

C9H11F3 — CID 143818434

IUPACacetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
SMILESC#C.CC/C=C(F)\C(F)=C(/C)F
InChIInChI=1S/C7H9F3.C2H2/c1-3-4-6(9)7(10)5(2)8;1-2/h4H,3H2,1-2H3;1-2H/b6-4+,7-5-;
InChIKeyBRYCRSFKXINNOJ-XGGDKXJTSA-N
MW176.18 g/mol
LogP3.67
Rot. Bonds2

About acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene

acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene (PubChem CID 143818434) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene.

Molecular Properties

Compound Nameacetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
PubChem CID143818434
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Nameacetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
SMILESC#C.CC/C=C(F)\C(F)=C(/C)F
InChIInChI=1S/C7H9F3.C2H2/c1-3-4-6(9)7(10)5(2)8;1-2/h4H,3H2,1-2H3;1-2H/b6-4+,7-5-;
InChIKeyBRYCRSFKXINNOJ-XGGDKXJTSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene 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,3E)-1,2,3,4-tetrafluoropenta-1,3-diene
CID 163774312
(2Z,4E)-2,4-difluoro-3-nitrohepta-2,4-diene
CID 144607728
acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
CID 142928333
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
1,1-difluorobut-1-ene;propane
CID 54149650
(2Z,4Z)-2,3,4,5-tetrafluorohexa-2,4-diene
CID 24973613
(E)-1-fluorobut-1-en-1-amine
CID 174005766
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
CID 166104491
(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene
CID 88587086
(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene
CID 167058020
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909

Frequently Asked Questions

What is the IUPAC name of acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene?
The IUPAC name of acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene (CID 143818434) is acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene.
What is the SMILES notation for acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene?
The canonical SMILES for acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene is C#C.CC/C=C(F)\C(F)=C(/C)F.
What is the InChIKey of acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene?
The InChIKey is BRYCRSFKXINNOJ-XGGDKXJTSA-N. The full InChI is InChI=1S/C7H9F3.C2H2/c1-3-4-6(9)7(10)5(2)8;1-2/h4H,3H2,1-2H3;1-2H/b6-4+,7-5-;.
What are the key properties of acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene?
acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene has a molecular weight of 176.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene is sourced from PubChem (CID 143818434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).