(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne

C15H21F — CID 89246542

IUPAC(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne
SMILESC=C(C)/C(=C\C)CC#C/C(CC)=C(/F)CC
InChIInChI=1S/C15H21F/c1-6-13(12(4)5)10-9-11-14(7-2)15(16)8-3/h6H,4,7-8,10H2,1-3,5H3/b13-6-,15-14+
InChIKeySFFHCYOUVMUHIR-IAWNYDFXSA-N
MW220.33 g/mol
LogP4.95
Rot. Bonds4

About (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne

(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne (PubChem CID 89246542) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne.

Molecular Properties

Compound Name(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne
PubChem CID89246542
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne
SMILESC=C(C)/C(=C\C)CC#C/C(CC)=C(/F)CC
InChIInChI=1S/C15H21F/c1-6-13(12(4)5)10-9-11-14(7-2)15(16)8-3/h6H,4,7-8,10H2,1-3,5H3/b13-6-,15-14+
InChIKeySFFHCYOUVMUHIR-IAWNYDFXSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne?
The IUPAC name of (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne (CID 89246542) is (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne.
What is the SMILES notation for (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne?
The canonical SMILES for (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne is C=C(C)/C(=C\C)CC#C/C(CC)=C(/F)CC.
What is the InChIKey of (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne?
The InChIKey is SFFHCYOUVMUHIR-IAWNYDFXSA-N. The full InChI is InChI=1S/C15H21F/c1-6-13(12(4)5)10-9-11-14(7-2)15(16)8-3/h6H,4,7-8,10H2,1-3,5H3/b13-6-,15-14+.
What are the key properties of (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne?
(3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne has a molecular weight of 220.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-7-ethyl-3-ethylidene-8-fluoro-2-methyldeca-1,7-dien-5-yne is sourced from PubChem (CID 89246542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).