ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne

C11H15F — CID 145351240

IUPACethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne
SMILESC=C/C=C(/F)C(=C)C#CC.CC
InChIInChI=1S/C9H9F.C2H6/c1-4-6-8(3)9(10)7-5-2;1-2/h5,7H,2-3H2,1H3;1-2H3/b9-7+;
InChIKeyIFOHFYARZDCFRR-BXTVWIJMSA-N
MW166.24 g/mol
LogP3.63
Rot. Bonds2

About ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne

ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne (PubChem CID 145351240) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne.

Molecular Properties

Compound Nameethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne
PubChem CID145351240
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Nameethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne
SMILESC=C/C=C(/F)C(=C)C#CC.CC
InChIInChI=1S/C9H9F.C2H6/c1-4-6-8(3)9(10)7-5-2;1-2/h5,7H,2-3H2,1H3;1-2H3/b9-7+;
InChIKeyIFOHFYARZDCFRR-BXTVWIJMSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.63
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

ethane;(2Z,3E)-3-fluoro-2-prop-2-enylidenehexa-3,5-dienenitrile
CID 143563021
4-ethylhepta-1,3-dien-5-yne
CID 123484500
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
CID 142332735
(3E)-3-fluoro-2-methylidenehexa-3,5-dienal
CID 142607987
(3E)-4-fluoro-6-methyl-5-methylidenedeca-1,3-diene
CID 144599508
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne
CID 53381529
(2Z,4E)-4-fluoro-3-methyl-2-(3-methylbut-3-en-2-yl)hepta-2,4,6-trien-1-ol
CID 89393246
(3E)-3-fluoro-2-(fluoromethoxy)hexa-1,3,5-triene
CID 143908605
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
(3E,5E)-6-methyl-4-prop-1-ynylocta-1,3,5-triene
CID 143502178

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne?
The IUPAC name of ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne (CID 145351240) is ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne.
What is the SMILES notation for ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne?
The canonical SMILES for ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne is C=C/C=C(/F)C(=C)C#CC.CC.
What is the InChIKey of ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne?
The InChIKey is IFOHFYARZDCFRR-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H9F.C2H6/c1-4-6-8(3)9(10)7-5-2;1-2/h5,7H,2-3H2,1H3;1-2H3/b9-7+;.
What are the key properties of ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne?
ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne has a molecular weight of 166.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne is sourced from PubChem (CID 145351240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).