(E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene

C10H17FO — CID 166824009

IUPAC(E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene
SMILESC/C=C(\C/C=C/OCF)CCC
InChIInChI=1S/C10H17FO/c1-3-6-10(4-2)7-5-8-12-9-11/h4-5,8H,3,6-7,9H2,1-2H3/b8-5+,10-4-
InChIKeyXJSAQZHJMBWMBI-DLXYCIEHSA-N
MW172.24 g/mol
LogP3.58
Rot. Bonds6

About (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene

(E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene (PubChem CID 166824009) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene.

Molecular Properties

Compound Name(E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene
PubChem CID166824009
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene
SMILESC/C=C(\C/C=C/OCF)CCC
InChIInChI=1S/C10H17FO/c1-3-6-10(4-2)7-5-8-12-9-11/h4-5,8H,3,6-7,9H2,1-2H3/b8-5+,10-4-
InChIKeyXJSAQZHJMBWMBI-DLXYCIEHSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

E-1-Methoxy-7-methyl-1,6-octadiene
CID 15633717
(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
CID 15517012
1-[(2Z,4E,5Z,7E)-4-ethylidene-8-methoxyocta-2,5,7-trien-3-yl]-3-fluorocyclohepta-1,3,5-triene
CID 141889055
ethane;(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene
CID 143342367
1-Ethoxy-3,7-dimethylocta-1,6-diene
CID 149163078
6-Fluoro-1-propoxyhept-1-ene
CID 152562609
2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
CID 173487679
(1Z,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene;hexane;hydrate
CID 141954926
(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene
CID 10535449
(1Z)-1-ethoxy-5-methylhexa-1,4-diene
CID 11434998
(E,5Z)-5-(methoxymethylidene)dec-2-ene
CID 12130293
(1E,3E)-1-methoxy-4,8-dimethylnona-1,3,7-triene
CID 13215975

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene?
The IUPAC name of (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene (CID 166824009) is (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene.
What is the SMILES notation for (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene?
The canonical SMILES for (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene is C/C=C(\C/C=C/OCF)CCC.
What is the InChIKey of (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene?
The InChIKey is XJSAQZHJMBWMBI-DLXYCIEHSA-N. The full InChI is InChI=1S/C10H17FO/c1-3-6-10(4-2)7-5-8-12-9-11/h4-5,8H,3,6-7,9H2,1-2H3/b8-5+,10-4-.
What are the key properties of (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene?
(E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene has a molecular weight of 172.24 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-ethylidene-1-(fluoromethoxy)hept-1-ene is sourced from PubChem (CID 166824009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).