ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne

C13H21F — CID 143345970

IUPACethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne
SMILESCC.CC#CC(/C=C(\C)CC)=C(/C)F
InChIInChI=1S/C11H15F.C2H6/c1-5-7-11(10(4)12)8-9(3)6-2;1-2/h8H,6H2,1-4H3;1-2H3/b9-8+,11-10+;
InChIKeyGTAZDYUYOFIKPF-YIUKEKEQSA-N
MW196.31 g/mol
LogP4.64
Rot. Bonds2

About ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne

ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne (PubChem CID 143345970) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne.

Molecular Properties

Compound Nameethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne
PubChem CID143345970
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Nameethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne
SMILESCC.CC#CC(/C=C(\C)CC)=C(/C)F
InChIInChI=1S/C11H15F.C2H6/c1-5-7-11(10(4)12)8-9(3)6-2;1-2/h8H,6H2,1-4H3;1-2H3/b9-8+,11-10+;
InChIKeyGTAZDYUYOFIKPF-YIUKEKEQSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.64
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

(3E,5E)-6-methyl-4-prop-1-ynylocta-1,3,5-triene
CID 143502178
2-(1-bromoethylidene)-4-methylhex-3-enenitrile
CID 123297642
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
(Z)-4-methylhex-3-en-2-one
CID 12930146
ethane;3-methylpent-2-ene;propane
CID 144514263
(E)-3-methylpent-2-enoic acid
CID 5473433
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
(E)-2,3-difluorobut-2-ene
CID 59928419
6-ethyloct-5-en-2-yn-4-one
CID 14225528

Frequently Asked Questions

What is the IUPAC name of ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne?
The IUPAC name of ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne (CID 143345970) is ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne.
What is the SMILES notation for ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne?
The canonical SMILES for ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne is CC.CC#CC(/C=C(\C)CC)=C(/C)F.
What is the InChIKey of ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne?
The InChIKey is GTAZDYUYOFIKPF-YIUKEKEQSA-N. The full InChI is InChI=1S/C11H15F.C2H6/c1-5-7-11(10(4)12)8-9(3)6-2;1-2/h8H,6H2,1-4H3;1-2H3/b9-8+,11-10+;.
What are the key properties of ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne?
ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne has a molecular weight of 196.31 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,4Z)-4-(1-fluoroethylidene)-6-methyloct-5-en-2-yne is sourced from PubChem (CID 143345970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).