ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene

C11H21F — CID 142079051

IUPACethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene
SMILESC/C=C(C)\C(CC)=C(/C)F.CC
InChIInChI=1S/C9H15F.C2H6/c1-5-7(3)9(6-2)8(4)10;1-2/h5H,6H2,1-4H3;1-2H3/b7-5-,9-8+;
InChIKeyAHXBJOPHCKSAAC-PHSQEXLNSA-N
MW172.29 g/mol
LogP4.63
Rot. Bonds2

About ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene

ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene (PubChem CID 142079051) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene.

Molecular Properties

Compound Nameethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene
PubChem CID142079051
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Nameethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene
SMILESC/C=C(C)\C(CC)=C(/C)F.CC
InChIInChI=1S/C9H15F.C2H6/c1-5-7(3)9(6-2)8(4)10;1-2/h5H,6H2,1-4H3;1-2H3/b7-5-,9-8+;
InChIKeyAHXBJOPHCKSAAC-PHSQEXLNSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene?
The IUPAC name of ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene (CID 142079051) is ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene.
What is the SMILES notation for ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene?
The canonical SMILES for ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene is C/C=C(C)\C(CC)=C(/C)F.CC.
What is the InChIKey of ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene?
The InChIKey is AHXBJOPHCKSAAC-PHSQEXLNSA-N. The full InChI is InChI=1S/C9H15F.C2H6/c1-5-7(3)9(6-2)8(4)10;1-2/h5H,6H2,1-4H3;1-2H3/b7-5-,9-8+;.
What are the key properties of ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene?
ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene has a molecular weight of 172.29 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene is sourced from PubChem (CID 142079051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).