5-(1-fluoroethyl)deca-2,4-diene

C12H21F — CID 123355656

IUPAC5-(1-fluoroethyl)deca-2,4-diene
SMILESCC=CC=C(CCCCC)C(C)F
InChIInChI=1S/C12H21F/c1-4-6-8-10-12(11(3)13)9-7-5-2/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyPFDQOUVBZPDYSU-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.43
Rot. Bonds6

About 5-(1-fluoroethyl)deca-2,4-diene

5-(1-fluoroethyl)deca-2,4-diene (PubChem CID 123355656) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 5-(1-fluoroethyl)deca-2,4-diene.

Molecular Properties

Compound Name5-(1-fluoroethyl)deca-2,4-diene
PubChem CID123355656
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name5-(1-fluoroethyl)deca-2,4-diene
SMILESCC=CC=C(CCCCC)C(C)F
InChIInChI=1S/C12H21F/c1-4-6-8-10-12(11(3)13)9-7-5-2/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyPFDQOUVBZPDYSU-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Sylveterpinolene
CID 524200
(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
(E,Z)-2,4-Dodecadiene
CID 5365771
7-Ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
5,7-Pentadecadiene
CID 14270937
2-Butyl-1,3-cyclohexadiene
CID 13133171
(3Z,6E)-14-methyl-alpha-farnesene
CID 14753113
1,3-Dodecadiene
CID 6365157
Pentadeca-1,3-diene
CID 156549
Trideca-1,3-diene
CID 181592
Heptadecatriene
CID 19377911
Pentylcyclohexadiene
CID 20453786

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)deca-2,4-diene?
The IUPAC name of 5-(1-fluoroethyl)deca-2,4-diene (CID 123355656) is 5-(1-fluoroethyl)deca-2,4-diene.
What is the SMILES notation for 5-(1-fluoroethyl)deca-2,4-diene?
The canonical SMILES for 5-(1-fluoroethyl)deca-2,4-diene is CC=CC=C(CCCCC)C(C)F.
What is the InChIKey of 5-(1-fluoroethyl)deca-2,4-diene?
The InChIKey is PFDQOUVBZPDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-4-6-8-10-12(11(3)13)9-7-5-2/h5,7,9,11H,4,6,8,10H2,1-3H3.
What are the key properties of 5-(1-fluoroethyl)deca-2,4-diene?
5-(1-fluoroethyl)deca-2,4-diene has a molecular weight of 184.30 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)deca-2,4-diene is sourced from PubChem (CID 123355656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).