(5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene

C17H30ClF — CID 10946148

IUPAC(5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene
SMILESCCCC/C=C/C=C(/F)CCCCCCCCCCl
InChIInChI=1S/C17H30ClF/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h8,11,14H,2-7,9-10,12-13,15-16H2,1H3/b11-8+,17-14+
InChIKeyRMRDNNPZOAKVOH-LDRANXPESA-N
MW288.88 g/mol
LogP6.95
Rot. Bonds13

About (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene

(5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene (PubChem CID 10946148) has the molecular formula C17H30ClF and a molecular weight of 288.88 g/mol. Its IUPAC name is (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene.

Molecular Properties

Compound Name(5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene
PubChem CID10946148
Molecular FormulaC17H30ClF
Molecular Weight288.88 g/mol
Exact Mass288.20
IUPAC Name(5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene
SMILESCCCC/C=C/C=C(/F)CCCCCCCCCCl
InChIInChI=1S/C17H30ClF/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h8,11,14H,2-7,9-10,12-13,15-16H2,1H3/b11-8+,17-14+
InChIKeyRMRDNNPZOAKVOH-LDRANXPESA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.88
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene?
The IUPAC name of (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene (CID 10946148) is (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene.
What is the SMILES notation for (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene?
The canonical SMILES for (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene is CCCC/C=C/C=C(/F)CCCCCCCCCCl.
What is the InChIKey of (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene?
The InChIKey is RMRDNNPZOAKVOH-LDRANXPESA-N. The full InChI is InChI=1S/C17H30ClF/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h8,11,14H,2-7,9-10,12-13,15-16H2,1H3/b11-8+,17-14+.
What are the key properties of (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene?
(5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene has a molecular weight of 288.88 g/mol, XLogP of 6.95, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-17-chloro-8-fluoroheptadeca-5,7-diene is sourced from PubChem (CID 10946148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).