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

C10H15F — CID 142928333

IUPACacetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
SMILESC#C.CC/C=C\C(C)=C(/C)F
InChIInChI=1S/C8H13F.C2H2/c1-4-5-6-7(2)8(3)9;1-2/h5-6H,4H2,1-3H3;1-2H/b6-5-,8-7+;
InChIKeyVIGJAMKWEVAPIQ-DUZKJZLISA-N
MW154.23 g/mol
LogP3.47
Rot. Bonds2

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

acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene (PubChem CID 142928333) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene.

Molecular Properties

Compound Nameacetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
PubChem CID142928333
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Nameacetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene
SMILESC#C.CC/C=C\C(C)=C(/C)F
InChIInChI=1S/C8H13F.C2H2/c1-4-5-6-7(2)8(3)9;1-2/h5-6H,4H2,1-3H3;1-2H/b6-5-,8-7+;
InChIKeyVIGJAMKWEVAPIQ-DUZKJZLISA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.47
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'}

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Related Compounds

(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene
CID 167105692
(2E)-3-fluorohepta-2,4-diene
CID 143797404
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(2E,4Z)-1,3-difluorohepta-2,4-diene
CID 142242505
acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
CID 143818434
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
CID 165151838
(5Z,7Z)-N,N,6-trimethyldeca-5,7-dien-5-amine
CID 134424615

Frequently Asked Questions

What is the IUPAC name of acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene?
The IUPAC name of acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene (CID 142928333) is acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene.
What is the SMILES notation for acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene?
The canonical SMILES for acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene is C#C.CC/C=C\C(C)=C(/C)F.
What is the InChIKey of acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene?
The InChIKey is VIGJAMKWEVAPIQ-DUZKJZLISA-N. The full InChI is InChI=1S/C8H13F.C2H2/c1-4-5-6-7(2)8(3)9;1-2/h5-6H,4H2,1-3H3;1-2H/b6-5-,8-7+;.
What are the key properties of acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene?
acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene has a molecular weight of 154.23 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2E,4Z)-2-fluoro-3-methylhepta-2,4-diene is sourced from PubChem (CID 142928333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).