(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne

C12H17F — CID 154982226

IUPAC(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne
SMILESC#C/C=C\C(F)=C(/C)[C@H](C)C(C)C
InChIInChI=1S/C12H17F/c1-6-7-8-12(13)11(5)10(4)9(2)3/h1,7-10H,2-5H3/b8-7-,12-11-/t10-/m1/s1
InChIKeyOIRRDNCQRGOJDJ-RMNOIEMPSA-N
MW180.27 g/mol
LogP3.71
Rot. Bonds3

About (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne

(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne (PubChem CID 154982226) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne.

Molecular Properties

Compound Name(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne
PubChem CID154982226
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne
SMILESC#C/C=C\C(F)=C(/C)[C@H](C)C(C)C
InChIInChI=1S/C12H17F/c1-6-7-8-12(13)11(5)10(4)9(2)3/h1,7-10H,2-5H3/b8-7-,12-11-/t10-/m1/s1
InChIKeyOIRRDNCQRGOJDJ-RMNOIEMPSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.71
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,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne?
The IUPAC name of (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne (CID 154982226) is (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne.
What is the SMILES notation for (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne?
The canonical SMILES for (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne is C#C/C=C\C(F)=C(/C)[C@H](C)C(C)C.
What is the InChIKey of (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne?
The InChIKey is OIRRDNCQRGOJDJ-RMNOIEMPSA-N. The full InChI is InChI=1S/C12H17F/c1-6-7-8-12(13)11(5)10(4)9(2)3/h1,7-10H,2-5H3/b8-7-,12-11-/t10-/m1/s1.
What are the key properties of (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne?
(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne has a molecular weight of 180.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne is sourced from PubChem (CID 154982226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).