5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene

C12H17F — CID 123446720

IUPAC5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
SMILESC=C(C=CC)C(C=CCF)=CCC
InChIInChI=1S/C12H17F/c1-4-7-11(3)12(8-5-2)9-6-10-13/h4,6-9H,3,5,10H2,1-2H3
InChIKeyICHYYPNEWQMXQD-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.98
Rot. Bonds5

About 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene

5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene (PubChem CID 123446720) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene.

Molecular Properties

Compound Name5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
PubChem CID123446720
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
SMILESC=C(C=CC)C(C=CCF)=CCC
InChIInChI=1S/C12H17F/c1-4-7-11(3)12(8-5-2)9-6-10-13/h4,6-9H,3,5,10H2,1-2H3
InChIKeyICHYYPNEWQMXQD-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
CID 143918138
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene
CID 126710295
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(2Z,4Z)-1-fluoro-4-propylhepta-2,4-diene
CID 143996817
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
4-(3-fluoroprop-1-enyl)hept-4-en-3-ol
CID 91335183
(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine
CID 145498144
(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene
CID 143081217
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol
CID 143613129

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene?
The IUPAC name of 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene (CID 123446720) is 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene.
What is the SMILES notation for 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene?
The canonical SMILES for 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene is C=C(C=CC)C(C=CCF)=CCC.
What is the InChIKey of 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene?
The InChIKey is ICHYYPNEWQMXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-4-7-11(3)12(8-5-2)9-6-10-13/h4,6-9H,3,5,10H2,1-2H3.
What are the key properties of 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene?
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene has a molecular weight of 180.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene is sourced from PubChem (CID 123446720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).